PWWPAtlas
STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments

Evolution → structure → chemical evidence

Structural & Binding Landscape

Compare two native domains with their actual structural correspondence and independently measured chemical evidence.

Family chemical landscape

Compare experimental molecular environments →

Domain A · native protein context

NSD2 PWWP1

UP:O96028:PWWP1 · Homo sapiens

Original annotation core: 222–286. Full protein architectures and analysis boundaries retain their separate source definitions.

19entries with observed core coordinates
17studied small-molecule profiles
18preparations with domain evidence
34domain-specific observations
17deposited research-ligand profiles
13studied without research structures

5 other deposited component profiles are classified separately and do not inflate studied-compound totals.

Compounds for Domain AEvolution & residuesFull experimental structure QA

10 preparation identities remain unresolved.

Domain B · native protein context

NSD3 PWWP1

UP:Q9BZ95:PWWP1 · Homo sapiens

Original annotation core: 270–333. Full protein architectures and analysis boundaries retain their separate source definitions.

11entries with observed core coordinates
11studied small-molecule profiles
11preparations with domain evidence
13domain-specific observations
9deposited research-ligand profiles
10studied without research structures

1 other deposited component profiles are classified separately and do not inflate studied-compound totals.

Compounds for Domain BEvolution & residuesFull experimental structure QA

6 preparation identities remain unresolved.

Recorded comparison · frozen coordinates

Structural correspondence

63aligned Cα residue pairs
0.982419 Årecorded least-squares RMSD
0.92224TM score normalized by stored A
0.93597TM score normalized by stored B
Open aligned molecular models & residue correspondences →

The comparison page exposes the exact least-squares transformation and canonical residue map. Core similarity does not establish the same pocket, affinity or histone preference.

Actual cross-target observations

Shared chemical identities or preparations

compound 7 (Collie 2025)Exact molecular identity →UNC6934Exact molecular identity →compound 11 (Collie 2025)Same unresolved measured preparation →compound 12 (Collie 2025)Same unresolved measured preparation →compound 13 (Collie 2025)Same unresolved measured preparation →compound 5 (Collie 2025)Same unresolved measured preparation →compound 6 (Collie 2025)Same unresolved measured preparation →

A shared profile may include a positive measurement for one target and a negative or censored result for another. Inspect the original rows before interpreting selectivity.

NSD2 PWWP1 · source-specific experiments

Reported observations for Domain A

Export CSV
PreparationTested target & constructMethod / endpointOriginal observationConditions & uncertaintySource & verification
UNC6934PREP:UNC6934 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 91 ± 8 nM0.091 µM · exact unit conversion
Experimental context
Replicates
3 (triplicate experiments; independence level not specified)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
—
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.05% Tween-20; 0.5% DMSO
Conditions
{"phase3_verification": "SV02A", "protein_construct": "NSD2 208–368", "purified_tags": "AviTag/NSD2(208–368)/polyhistidine; biotinylated", "source_protocol_highest_concentration_uM": 2}
Qualification
SPR temperature and exact uncertainty definition are not specified in the inspected assay-specific source. Triplicate experiments reported. Preparation/assay construct differs from crystallization 211–350.
 PMID:34782742 · 2022Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained
Original observation record
{
  "DMSO_percent": 0.5,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0004",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0004\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"V01\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"UNC6934\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results; Figures 1\u20132\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/\", \"gene\": \"NSD2\", \"interpretation\": \"\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6XCG\", \"reference_id\": \"PMID:34782742\", \"role\": \"reported_chemical_probe\", \"uncertainty\": 8, \"units\": \"nM\", \"value\": 91, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.05% Tween-20; 0.5% DMSO",
  "ccd_id": "V01",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "UNC6934",
  "conditions": "{\"phase3_verification\": \"SV02A\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"AviTag/NSD2(208\u2013368)/polyhistidine; biotinylated\", \"source_protocol_highest_concentration_uM\": 2}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results; Figures 1\u20132",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
  "gene": "NSD2",
  "interpretation": null,
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.4,
  "pdb_id": "6XCG",
  "preparation_id": "PREP:UNC6934",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:34782742",
  "remaining_uncertainty": "SPR temperature and exact uncertainty definition are not specified in the inspected assay-specific source. Triplicate experiments reported. Preparation/assay construct differs from crystallization 211\u2013350.",
  "replicates": "3 (triplicate experiments; independence level not specified)",
  "role": "reported_chemical_probe",
  "source_component_url": null,
  "source_id": "S02",
  "source_reported_uncertainty": "8",
  "source_reported_units": "nM",
  "source_reported_value": "91",
  "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
  "temperature_C": null,
  "uncertainty": 8.0,
  "uncertainty_type": null,
  "uncertainty_uM": 0.008,
  "unit_conversion": null,
  "units": "nM",
  "value": 91.0,
  "value_operator": "=",
  "value_uM": 0.091,
  "verification_level": "primary_full_text_sections_verified"
}
UNC6934PREP:UNC6934 NSD2 PWWP1
208–368Homo sapiens		 IC50AlphaScreen IC50biochemical interaction inhibition = 104 ± 13 nM0.104 µM · exact unit conversion
Experimental context
Replicates
3 independent experiments; each 10-point curve in duplicate
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
23 °C
Buffer
150 mM NaCl; 20 mM Tris; 0.01% BSA; 0.01% NP-40; 1 mM DTT (DTT omitted from bead buffer)
Conditions
{"phase3_verification": "SV02A", "protein_construct": "NSD2 208–368", "readout": "His-NSD2-PWWP1 binding to H3K36me2 designer nucleosome", "tag": "6His", "temperature_scope": "23°C compound/protein and nucleosome preincubation; bead incubation room temperature"}
Qualification
23°C is the antagonist preincubation temperature, not a verified readout temperature. Final DMSO fraction and SD-versus-SEM definition for ±13 nM are not explicit in the inspected assay-specific text.
 PMID:34782742 · 2022Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0005",
  "assay_type": "AlphaScreen IC50",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0005\", \"assay_type\": \"AlphaScreen IC50\", \"ccd_id\": \"V01\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"UNC6934\", \"conditions\": {}, \"domain\": \"PWWP1\", \"evidence_location\": \"Discussion; biochemical characterization\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/\", \"gene\": \"NSD2\", \"interpretation\": \"Binding-interaction assay, not a direct catalytic SET-domain inhibition measurement.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6XCG\", \"reference_id\": \"PMID:34782742\", \"role\": \"reported_chemical_probe\", \"uncertainty\": 13, \"units\": \"nM\", \"value\": 104, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "150 mM NaCl; 20 mM Tris; 0.01% BSA; 0.01% NP-40; 1 mM DTT (DTT omitted from bead buffer)",
  "ccd_id": "V01",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "UNC6934",
  "conditions": "{\"phase3_verification\": \"SV02A\", \"protein_construct\": \"NSD2 208\u2013368\", \"readout\": \"His-NSD2-PWWP1 binding to H3K36me2 designer nucleosome\", \"tag\": \"6His\", \"temperature_scope\": \"23\u00b0C compound/protein and nucleosome preincubation; bead incubation room temperature\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "biochemical_interaction_inhibition",
  "evidence_location": "Discussion; biochemical characterization",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
  "gene": "NSD2",
  "interpretation": "Binding-interaction assay, not a direct catalytic SET-domain inhibition measurement.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": "6XCG",
  "preparation_id": "PREP:UNC6934",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:34782742",
  "remaining_uncertainty": "23\u00b0C is the antagonist preincubation temperature, not a verified readout temperature. Final DMSO fraction and SD-versus-SEM definition for \u00b113 nM are not explicit in the inspected assay-specific text.",
  "replicates": "3 independent experiments; each 10-point curve in duplicate",
  "role": "reported_chemical_probe",
  "source_component_url": null,
  "source_id": "S02",
  "source_reported_uncertainty": "13",
  "source_reported_units": "nM",
  "source_reported_value": "104",
  "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
  "temperature_C": 23,
  "uncertainty": 13.0,
  "uncertainty_type": null,
  "uncertainty_uM": 0.013,
  "unit_conversion": null,
  "units": "nM",
  "value": 104.0,
  "value_operator": "=",
  "value_uM": 0.104,
  "verification_level": "primary_full_text_sections_verified"
}
UNC6934PREP:UNC6934 NSD2 PWWP1
Construct not curatedHomo sapiens		 Unstandardized half-response concentrationNanoBRET PPI half-responsecellular interaction response = 1.23 ± 0.25 µM
Experimental context
Replicates
3 independent replicates
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
—
Buffer
DMEM/F12 without phenol red; 4% FBS; 100 U/mL penicillin; 100 ug/mL streptomycin
Conditions
{"cell_line": "U2OS", "readout": "NSD2 PWWP1–histone H3.3 interaction"}
Qualification
NanoLuc construct boundaries, readout temperature and SD-versus-SEM are not explicit in the inspected source. Results say EC50 while Discussion says IC50; neutral half-response label retained.
 PMID:34782742 · 2022Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0006",
  "assay_type": "NanoBRET PPI half-response",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0006\", \"assay_type\": \"NanoBRET PPI half-response\", \"ccd_id\": \"V01\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"UNC6934\", \"conditions\": {\"cell_line\": \"U2OS\", \"readout\": \"NSD2 PWWP1\u2013histone H3.3 interaction\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results: cellular target engagement; Figure 4d\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/\", \"gene\": \"NSD2\", \"interpretation\": \"Main Results calls this EC50; Discussion calls it IC50. Original value retained without conflating it with Kd.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6XCG\", \"reference_id\": \"PMID:34782742\", \"role\": \"reported_chemical_probe\", \"uncertainty\": 0.25, \"units\": \"\u00b5M\", \"value\": 1.23, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "DMEM/F12 without phenol red; 4% FBS; 100 U/mL penicillin; 100 ug/mL streptomycin",
  "ccd_id": "V01",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "UNC6934",
  "conditions": "{\"cell_line\": \"U2OS\", \"readout\": \"NSD2 PWWP1\u2013histone H3.3 interaction\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": "Results/Figure use EC50, Discussion uses IC50; neutral half-response retained",
  "evidence_class": "cellular_interaction_response",
  "evidence_location": "Results: cellular target engagement; Figure 4d",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
  "gene": "NSD2",
  "interpretation": "Main Results calls this EC50; Discussion calls it IC50. Original value retained without conflating it with Kd.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "6XCG",
  "preparation_id": "PREP:UNC6934",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:34782742",
  "remaining_uncertainty": "NanoLuc construct boundaries, readout temperature and SD-versus-SEM are not explicit in the inspected source. Results say EC50 while Discussion says IC50; neutral half-response label retained.",
  "replicates": "3 independent replicates",
  "role": "reported_chemical_probe",
  "source_component_url": null,
  "source_id": "S02",
  "source_reported_uncertainty": "0.25",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.23",
  "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
  "temperature_C": null,
  "uncertainty": 0.25,
  "uncertainty_type": null,
  "uncertainty_uM": 0.25,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.23,
  "value_operator": "=",
  "value_uM": 1.23,
  "verification_level": "primary_full_text_sections_verified"
}
UNC6934PREP:UNC6934 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 0.24 ± 0.03 µM0.24 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0014",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0014\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"V01\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"UNC6934\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"reported_chemical_probe\", \"uncertainty\": 0.03, \"units\": \"\u00b5M\", \"value\": 0.24, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": "V01",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "UNC6934",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:UNC6934",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "reported_chemical_probe",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.03",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.24",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.03,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.03,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.24,
  "value_operator": "=",
  "value_uM": 0.24,
  "verification_level": "primary_full_text_sections_verified"
}
UNC6934PREP:UNC6934 NSD2 PWWP1
211–350Homo sapiens		 KdSPR Kddirect binding affinity = 1.33 ± 0.19 µM1.33 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 211–350", "purified_tags": "N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 350,
  "assay_construct_start": 211,
  "assay_record_id": "PWWP:ASSAY:0021",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0021\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"V01\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"UNC6934\", \"conditions\": {\"protein_construct\": \"NSD2 211\u2013350\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"reported_chemical_probe\", \"uncertainty\": 0.19, \"units\": \"\u00b5M\", \"value\": 1.33, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": "V01",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "UNC6934",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211\u2013350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:UNC6934",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "reported_chemical_probe",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.19",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.33",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.19,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.19,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.33,
  "value_operator": "=",
  "value_uM": 1.33,
  "verification_level": "primary_full_text_sections_verified"
}
compound 1 (de Freitas 2021)PREP:DEFREITAS2021_1 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 41 ± 8 µM41 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.
 PMID:33522809 · 2021NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0033",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "compound 1 (de Freitas 2021)",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results; Figure S1a",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:DEFREITAS2021_1",
  "protein_id": "UP:O96028",
  "publication_year": 2021,
  "reference_id": "PMID:33522809",
  "remaining_uncertainty": "Source text directly reports preparation and Kd \u00b1 uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "fragment_hit",
  "source_id": "P5:S:DEFREITAS2021",
  "source_reported_uncertainty": "8",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "41",
  "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved",
  "uncertainty": 8,
  "uncertainty_type": null,
  "uncertainty_uM": 8,
  "units": "\u00b5M",
  "value": 41,
  "value_operator": "=",
  "value_uM": 41,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
compound 1 (de Freitas 2021)PREP:DEFREITAS2021_1 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdReverse ITC Kddirect binding affinity = 8.9 µM8.9 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
{'compound_cell_concentration_uM': 40, 'protein_syringe_concentration_mM': 1, 'reverse_titration_reason': 'Limited compound solubility', 'titration_direction': 'Protein into compound'}
Qualification
No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.
 PMID:33522809 · 2021NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0034",
  "assay_type": "Reverse ITC Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "compound 1 (de Freitas 2021)",
  "conditions": {
    "compound_cell_concentration_uM": 40,
    "protein_syringe_concentration_mM": 1,
    "reverse_titration_reason": "Limited compound solubility",
    "titration_direction": "Protein into compound"
  },
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results; Figure S1b",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:DEFREITAS2021_1",
  "protein_id": "UP:O96028",
  "publication_year": 2021,
  "reference_id": "PMID:33522809",
  "remaining_uncertainty": "No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "fragment_hit",
  "source_id": "P5:S:DEFREITAS2021",
  "source_reported_uncertainty": null,
  "source_reported_units": "\u00b5M",
  "source_reported_value": "8.9",
  "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved",
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "units": "\u00b5M",
  "value": 8.9,
  "value_operator": "=",
  "value_uM": 8.9,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
compound 11 (Collie 2025)PREP:COLLIE2025_11 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 1.02 ± 0.19 µM1.02 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0018",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0018\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 11 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"crystallographic_component_ids\": [\"A1IFS\", \"A1IEG\"], \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"9FOC\", \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.19, \"units\": \"\u00b5M\", \"value\": 1.02, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity",
  "component_context": null,
  "compound_name": "compound 11 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]",
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": "9FOC",
  "preparation_id": "PREP:COLLIE2025_11",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.19",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.02",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.19,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.19,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.02,
  "value_operator": "=",
  "value_uM": 1.02,
  "verification_level": "primary_full_text_sections_verified"
}
compound 11 (Collie 2025)PREP:COLLIE2025_11 NSD2 PWWP1
211–350Homo sapiens		 KdSPR Kddirect binding affinity = 2.3 ± 0.31 µM2.3 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 211–350", "purified_tags": "N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 350,
  "assay_construct_start": 211,
  "assay_record_id": "PWWP:ASSAY:0025",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0025\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 11 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 211\u2013350\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"crystallographic_component_ids\": [\"A1IFS\", \"A1IEG\"], \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"9FOC\", \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.31, \"units\": \"\u00b5M\", \"value\": 2.3, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity",
  "component_context": null,
  "compound_name": "compound 11 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211\u2013350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]",
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": "9FOC",
  "preparation_id": "PREP:COLLIE2025_11",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.31",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "2.3",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.31,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.31,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 2.3,
  "value_operator": "=",
  "value_uM": 2.3,
  "verification_level": "primary_full_text_sections_verified"
}
compound 12 (Collie 2025)PREP:COLLIE2025_12 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 1.47 ± 0.13 µM1.47 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0019",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0019\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 12 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.13, \"units\": \"\u00b5M\", \"value\": 1.47, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 12 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_12",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.13",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.47",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.13,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.13,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.47,
  "value_operator": "=",
  "value_uM": 1.47,
  "verification_level": "primary_full_text_sections_verified"
}
compound 12 (Collie 2025)PREP:COLLIE2025_12 NSD2 PWWP1
211–350Homo sapiens		 KdSPR Kddirect binding affinity = 2.8 ± 0.31 µM2.8 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 211–350", "purified_tags": "N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 350,
  "assay_construct_start": 211,
  "assay_record_id": "PWWP:ASSAY:0026",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0026\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 12 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 211\u2013350\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.31, \"units\": \"\u00b5M\", \"value\": 2.8, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 12 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211\u2013350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_12",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.31",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "2.8",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.31,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.31,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 2.8,
  "value_operator": "=",
  "value_uM": 2.8,
  "verification_level": "primary_full_text_sections_verified"
}
compound 12 (Collie 2025)PREP:COLLIE2025_12 NSD2 PWWP1
208–368Homo sapiens		 IC50HTRF displacement IC50biochemical interaction inhibition = 2.49 ± 0.06 µM2.49 µM · exact unit conversion
Experimental context
Replicates
2
Uncertainty definition
SEM
Temperature
—
Buffer
Not curated
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": 2, "uncertainty_type": "SEM"}
Qualification
HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0030",
  "assay_type": "HTRF displacement IC50",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0030\", \"assay_type\": \"HTRF displacement IC50\", \"ccd_id\": null, \"compound_name\": \"compound 12 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.06, \"units\": \"\u00b5M\", \"value\": 2.49, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 12 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "biochemical_interaction_inhibition",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_12",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
  "replicates": "2",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.06",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "2.49",
  "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
  "temperature_C": null,
  "uncertainty": 0.06,
  "uncertainty_type": "SEM",
  "uncertainty_uM": 0.06,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 2.49,
  "value_operator": "=",
  "value_uM": 2.49,
  "verification_level": "primary_full_text_sections_verified"
}
compound 13 (Collie 2025)PREP:COLLIE2025_13 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 0.75 ± 0.04 µM0.75 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0020",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0020\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 13 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.04, \"units\": \"\u00b5M\", \"value\": 0.75, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 13 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_13",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.04",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.75",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.04,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.04,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.75,
  "value_operator": "=",
  "value_uM": 0.75,
  "verification_level": "primary_full_text_sections_verified"
}
compound 13 (Collie 2025)PREP:COLLIE2025_13 NSD2 PWWP1
211–350Homo sapiens		 KdSPR Kddirect binding affinity = 1.52 ± 0.05 µM1.52 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 211–350", "purified_tags": "N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 350,
  "assay_construct_start": 211,
  "assay_record_id": "PWWP:ASSAY:0027",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0027\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 13 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 211\u2013350\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.05, \"units\": \"\u00b5M\", \"value\": 1.52, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 13 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211\u2013350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_13",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.05",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.52",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.05,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.05,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.52,
  "value_operator": "=",
  "value_uM": 1.52,
  "verification_level": "primary_full_text_sections_verified"
}
compound 13 (Collie 2025)PREP:COLLIE2025_13 NSD2 PWWP1
208–368Homo sapiens		 IC50HTRF displacement IC50biochemical interaction inhibition = 1.31 ± 0.06 µM1.31 µM · exact unit conversion
Experimental context
Replicates
at least 3
Uncertainty definition
SEM
Temperature
—
Buffer
Not curated
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SEM"}
Qualification
HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0031",
  "assay_type": "HTRF displacement IC50",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0031\", \"assay_type\": \"HTRF displacement IC50\", \"ccd_id\": null, \"compound_name\": \"compound 13 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.06, \"units\": \"\u00b5M\", \"value\": 1.31, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 13 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "biochemical_interaction_inhibition",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_13",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
  "replicates": "at least 3",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.06",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.31",
  "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
  "temperature_C": null,
  "uncertainty": 0.06,
  "uncertainty_type": "SEM",
  "uncertainty_uM": 0.06,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.31,
  "value_operator": "=",
  "value_uM": 1.31,
  "verification_level": "primary_full_text_sections_verified"
}
compound 5 (Collie 2025)PREP:COLLIE2025_5 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 0.16 ± 0.03 µM0.16 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0015",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0015\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 5 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.03, \"units\": \"\u00b5M\", \"value\": 0.16, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity",
  "component_context": null,
  "compound_name": "compound 5 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_5",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.03",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.16",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.03,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.03,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.16,
  "value_operator": "=",
  "value_uM": 0.16,
  "verification_level": "primary_full_text_sections_verified"
}
compound 5 (Collie 2025)PREP:COLLIE2025_5 NSD2 PWWP1
211–350Homo sapiens		 KdSPR Kddirect binding affinity = 0.92 ± 0.03 µM0.92 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 211–350", "purified_tags": "N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 350,
  "assay_construct_start": 211,
  "assay_record_id": "PWWP:ASSAY:0022",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0022\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 5 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 211\u2013350\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.03, \"units\": \"\u00b5M\", \"value\": 0.92, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity",
  "component_context": null,
  "compound_name": "compound 5 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211\u2013350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_5",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.03",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.92",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.03,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.03,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.92,
  "value_operator": "=",
  "value_uM": 0.92,
  "verification_level": "primary_full_text_sections_verified"
}
compound 6 (Collie 2025)PREP:COLLIE2025_6 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 0.71 ± 0.09 µM0.71 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0016",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0016\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 6 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.09, \"units\": \"\u00b5M\", \"value\": 0.71, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 6 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_6",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.09",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.71",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.09,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.09,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.71,
  "value_operator": "=",
  "value_uM": 0.71,
  "verification_level": "primary_full_text_sections_verified"
}
compound 6 (Collie 2025)PREP:COLLIE2025_6 NSD2 PWWP1
211–350Homo sapiens		 KdSPR Kddirect binding affinity = 5.83 ± 0.64 µM5.83 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 211–350", "purified_tags": "N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 350,
  "assay_construct_start": 211,
  "assay_record_id": "PWWP:ASSAY:0023",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0023\", \"assay_type\": \"SPR Kd\", \"ccd_id\": null, \"compound_name\": \"compound 6 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 211\u2013350\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.64, \"units\": \"\u00b5M\", \"value\": 5.83, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 6 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211\u2013350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_6",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.64",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "5.83",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.64,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.64,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 5.83,
  "value_operator": "=",
  "value_uM": 5.83,
  "verification_level": "primary_full_text_sections_verified"
}
compound 6 (Collie 2025)PREP:COLLIE2025_6 NSD2 PWWP1
208–368Homo sapiens		 IC50HTRF displacement IC50biochemical interaction inhibition = 1.24 ± 0.08 µM1.24 µM · exact unit conversion
Experimental context
Replicates
2
Uncertainty definition
SEM
Temperature
—
Buffer
Not curated
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": 2, "uncertainty_type": "SEM"}
Qualification
HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0028",
  "assay_type": "HTRF displacement IC50",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0028\", \"assay_type\": \"HTRF displacement IC50\", \"ccd_id\": null, \"compound_name\": \"compound 6 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.08, \"units\": \"\u00b5M\", \"value\": 1.24, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 6 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "biochemical_interaction_inhibition",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_6",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
  "replicates": "2",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.08",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.24",
  "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
  "temperature_C": null,
  "uncertainty": 0.08,
  "uncertainty_type": "SEM",
  "uncertainty_uM": 0.08,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.24,
  "value_operator": "=",
  "value_uM": 1.24,
  "verification_level": "primary_full_text_sections_verified"
}
compound 7 (Collie 2025)PREP:COLLIE2025_7 NSD2 PWWP1
208–368Homo sapiens		 KdSPR Kddirect binding affinity = 0.15 ± 0.02 µM0.15 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0017",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0017\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"A1IEF\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"compound 7 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"9FOE\", \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.02, \"units\": \"\u00b5M\", \"value\": 0.15, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": "A1IEF",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "compound 7 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": "9FOE",
  "preparation_id": "PREP:COLLIE2025_7",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.02",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.15",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.02,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.02,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.15,
  "value_operator": "=",
  "value_uM": 0.15,
  "verification_level": "primary_full_text_sections_verified"
}
compound 7 (Collie 2025)PREP:COLLIE2025_7 NSD2 PWWP1
211–350Homo sapiens		 KdSPR Kddirect binding affinity = 0.76 ± 0.01 µM0.76 µM · exact unit conversion
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
SD
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 211–350", "purified_tags": "N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal", "replicates": "at least 3", "uncertainty_type": "SD"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 350,
  "assay_construct_start": 211,
  "assay_record_id": "PWWP:ASSAY:0024",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0024\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"A1IEF\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"compound 7 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 211\u2013350\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"9FOE\", \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.01, \"units\": \"\u00b5M\", \"value\": 0.76, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": "A1IEF",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "compound 7 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211\u2013350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.5,
  "pdb_id": "9FOE",
  "preparation_id": "PREP:COLLIE2025_7",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.01",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.76",
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": 0.01,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.01,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.76,
  "value_operator": "=",
  "value_uM": 0.76,
  "verification_level": "primary_full_text_sections_verified"
}
compound 7 (Collie 2025)PREP:COLLIE2025_7 NSD2 PWWP1
208–368Homo sapiens		 IC50HTRF displacement IC50biochemical interaction inhibition = 0.21 ± 0.01 µM0.21 µM · exact unit conversion
Experimental context
Replicates
at least 3
Uncertainty definition
SEM
Temperature
—
Buffer
Not curated
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD2 208–368", "purified_tags": "N-terminal Avi; C-terminal 6His; biotinylated", "replicates": "at least 3", "uncertainty_type": "SEM"}
Qualification
HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0029",
  "assay_type": "HTRF displacement IC50",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0029\", \"assay_type\": \"HTRF displacement IC50\", \"ccd_id\": \"A1IEF\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"compound 7 (Collie 2025)\", \"conditions\": {\"protein_construct\": \"NSD2 208\u2013368\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"Table 1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/\", \"gene\": \"NSD2\", \"interpretation\": \"Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"9FOE\", \"reference_id\": \"PMID:40959233\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.01, \"units\": \"\u00b5M\", \"value\": 0.21, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": "A1IEF",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "compound 7 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208\u2013368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "biochemical_interaction_inhibition",
  "evidence_location": "Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD2",
  "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "9FOE",
  "preparation_id": "PREP:COLLIE2025_7",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
  "replicates": "at least 3",
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": "0.01",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.21",
  "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
  "temperature_C": null,
  "uncertainty": 0.01,
  "uncertainty_type": "SEM",
  "uncertainty_uM": 0.01,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 0.21,
  "value_operator": "=",
  "value_uM": 0.21,
  "verification_level": "primary_full_text_sections_verified"
}
MR837 (3f)PREP:MR837 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 7 ± 3 µM7 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
—
Buffer
Not curated
Conditions
{}
Qualification
Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.
 PMID:33522809 · 2021primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0001",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0001\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"Q5D\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"MR837 (3f)\", \"conditions\": {}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results; Figure 2\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/\", \"gene\": \"NSD2\", \"interpretation\": \"Distinct condition from the lower-DMSO SPR measurement; do not average.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6UE6\", \"reference_id\": \"PMID:33522809\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 3, \"units\": \"\u00b5M\", \"value\": 7, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": "Q5D",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "MR837 (3f)",
  "conditions": "{}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results; Figure 2",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
  "gene": "NSD2",
  "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "6UE6",
  "preparation_id": "PREP:MR837",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:33522809",
  "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
  "replicates": null,
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S01",
  "source_reported_uncertainty": "3",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "7",
  "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
  "temperature_C": null,
  "uncertainty": 3.0,
  "uncertainty_type": null,
  "uncertainty_uM": 3.0,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 7.0,
  "value_operator": "=",
  "value_uM": 7.0,
  "verification_level": "primary_full_text_sections_verified"
}
MR837 (3f)PREP:MR837 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 3.4 ± 0.4 µM3.4 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
—
Buffer
Not curated
Conditions
{"DMSO_percent": 0.5}
Qualification
Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.
 PMID:33522809 · 2021primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened
Original observation record
{
  "DMSO_percent": 0.5,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0002",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0002\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"Q5D\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"MR837 (3f)\", \"conditions\": {\"DMSO_percent\": 0.5}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results; Figure S6\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/\", \"gene\": \"NSD2\", \"interpretation\": \"Lower-DMSO measurement; preserve assay conditions.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6UE6\", \"reference_id\": \"PMID:33522809\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.4, \"units\": \"\u00b5M\", \"value\": 3.4, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": "Q5D",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "MR837 (3f)",
  "conditions": "{\"DMSO_percent\": 0.5}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results; Figure S6",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
  "gene": "NSD2",
  "interpretation": "Lower-DMSO measurement; preserve assay conditions.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "6UE6",
  "preparation_id": "PREP:MR837",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:33522809",
  "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
  "replicates": null,
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S01",
  "source_reported_uncertainty": "0.4",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "3.4",
  "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
  "temperature_C": null,
  "uncertainty": 0.4,
  "uncertainty_type": null,
  "uncertainty_uM": 0.4,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 3.4,
  "value_operator": "=",
  "value_uM": 3.4,
  "verification_level": "primary_full_text_sections_verified"
}
MRT866PREP:MRT866 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 349 ± 19 nM0.349 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
—
Buffer
Not curated
Conditions
{}
Qualification
349 ± 19 nM verified in Results; MRT866-specific SPR construct/protocol, replicate definition and uncertainty statistic remain unresolved. Crystallography 211–350 is not assigned as the binding-assay construct.
 PMID:34782742 · 2022Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0003",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0003\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"Y6V\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"MRT866\", \"conditions\": {}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results: Discovery of a potent ligand targeting NSD2-PWWP1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/\", \"gene\": \"NSD2\", \"interpretation\": \"\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"7MDN\", \"reference_id\": \"PMID:34782742\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 19, \"units\": \"nM\", \"value\": 349, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": "Y6V",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "MRT866",
  "conditions": "{}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results: Discovery of a potent ligand targeting NSD2-PWWP1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
  "gene": "NSD2",
  "interpretation": null,
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "7MDN",
  "preparation_id": "PREP:MRT866",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:34782742",
  "remaining_uncertainty": "349 \u00b1 19 nM verified in Results; MRT866-specific SPR construct/protocol, replicate definition and uncertainty statistic remain unresolved. Crystallography 211\u2013350 is not assigned as the binding-assay construct.",
  "replicates": null,
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S02",
  "source_reported_uncertainty": "19",
  "source_reported_units": "nM",
  "source_reported_value": "349",
  "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
  "temperature_C": null,
  "uncertainty": 19.0,
  "uncertainty_type": null,
  "uncertainty_uM": 0.019,
  "unit_conversion": null,
  "units": "nM",
  "value": 349.0,
  "value_operator": "=",
  "value_uM": 0.349,
  "verification_level": "primary_full_text_sections_verified"
}
UNC7096PREP:UNC7096 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 46 nM0.046 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
UNC7096-specific construct, buffer, uncertainty and replicate definition were not independently verified; the general UNC6934/UNC7145 SPR protocol is not automatically transferred.
 PMID:34782742 · 2022NCBI BioC primary full text; UNC7096 Results and UNC7145 chemical transformation; primary Methods/captions inspected
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0007",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": "INCHIKEY:JXTDBIVBSAFNBJ-PLCURSASSA-N",
  "compound_name": "UNC7096",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results: Development of selective affinity reagents; Extended Data Figure 6",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC7096",
  "protein_id": "UP:O96028",
  "publication_year": 2022,
  "reference_id": "PMID:34782742",
  "remaining_uncertainty": "UNC7096-specific construct, buffer, uncertainty and replicate definition were not independently verified; the general UNC6934/UNC7145 SPR protocol is not automatically transferred.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "affinity_reagent",
  "source_id": "P5:S:DILWORTH2021",
  "source_reported_uncertainty": null,
  "source_reported_units": "nM",
  "source_reported_value": "46",
  "source_verification_scope": "NCBI BioC primary full text; UNC7096 Results and UNC7145 chemical transformation; primary Methods/captions inspected",
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "units": "nM",
  "value": 46,
  "value_operator": "=",
  "value_uM": 0.046,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC7145PREP:UNC7145Negative / censored NSD2 PWWP1
208–368Homo sapiens		 Qualitative / associationSPR no appreciable bindingnegative binding test No quantitative observation curated
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
—
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.05% Tween-20; 0.5% DMSO
Conditions
{"highest_tested_concentration_uM": 20, "phase3_verification": "SV02A", "purified_tags": "AviTag/NSD2(208–368)/polyhistidine; biotinylated", "source_protocol_highest_concentration_uM": 2}
Qualification
Primary-source concentration discrepancy: Results report no appreciable binding up to 20 uM, but SPR Methods state 2 uM as highest concentration. Neither is converted into a Kd bound; human source review required.
 PMID:34782742 · 2022Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained
Original observation record
{
  "DMSO_percent": 0.5,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 368,
  "assay_construct_start": 208,
  "assay_record_id": "PWWP:ASSAY:0007",
  "assay_type": "SPR no appreciable binding",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0007\", \"assay_type\": \"SPR no appreciable binding\", \"ccd_id\": null, \"compound_name\": \"UNC7145\", \"conditions\": {\"highest_tested_concentration_uM\": 20}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results: Discovery of a potent ligand targeting NSD2-PWWP1\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/\", \"gene\": \"NSD2\", \"interpretation\": \"No appreciable binding up to 20 \u00b5M; this is not a measured infinite Kd.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:34782742\", \"role\": \"negative_control\", \"uncertainty\": null, \"units\": \"\u00b5M\", \"value\": null, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.05% Tween-20; 0.5% DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "UNC7145",
  "conditions": "{\"highest_tested_concentration_uM\": 20, \"phase3_verification\": \"SV02A\", \"purified_tags\": \"AviTag/NSD2(208\u2013368)/polyhistidine; biotinylated\", \"source_protocol_highest_concentration_uM\": 2}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "negative_binding_test",
  "evidence_location": "Results: Discovery of a potent ligand targeting NSD2-PWWP1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
  "gene": "NSD2",
  "interpretation": "No appreciable binding up to 20 \u00b5M; this is not a measured infinite Kd.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "not_a_quantitative_affinity_record",
  "numeric_value_inferred_from_structure": 0,
  "pH": 7.4,
  "pdb_id": null,
  "preparation_id": "PREP:UNC7145",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:34782742",
  "remaining_uncertainty": "Primary-source concentration discrepancy: Results report no appreciable binding up to 20 uM, but SPR Methods state 2 uM as highest concentration. Neither is converted into a Kd bound; human source review required.",
  "replicates": null,
  "role": "negative_control",
  "source_component_url": null,
  "source_id": "S02",
  "source_reported_uncertainty": null,
  "source_reported_units": "\u00b5M",
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
  "temperature_C": null,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": "primary_full_text_sections_verified"
}
UNC8153PREP:UNC8153 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 24 ± 7 nM0.024 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Original value and uncertainty preserved from later primary-table reprint; original Figure 3 numeric image not separately opened. Original experiment replicate/statistic assignment and construct remain uncurated; this is not a second 2024 experiment.
 PMID:36976643 · 2023NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1
Original observation record
{
  "additional_source_urls": [
    "https://www.nature.com/articles/s41589-024-01660-y/tables/1"
  ],
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0009",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
  "compound_name": "UNC8153",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Figure 3A; numeric value visually verified in asterisk-marked original-data row of Nie 2024 Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8153",
  "protein_id": "UP:O96028",
  "publication_year": 2023,
  "reference_id": "PMID:36976643",
  "remaining_uncertainty": "Original value and uncertainty preserved from later primary-table reprint; original Figure 3 numeric image not separately opened. Original experiment replicate/statistic assignment and construct remain uncurated; this is not a second 2024 experiment.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:HANLEY2023",
  "source_reported_uncertainty": "7",
  "source_reported_units": "nM",
  "source_reported_value": "24",
  "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
  "uncertainty": 7,
  "uncertainty_type": null,
  "uncertainty_uM": 0.007,
  "underlying_measurement_id": "HANLEY2023:UNC8153:SPR",
  "units": "nM",
  "value": 24,
  "value_operator": "=",
  "value_uM": 0.024,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC8269PREP:UNC8269 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 36 ± 21 nM0.036 µM · exact unit conversion
Experimental context
Replicates
3 independent experiments
Uncertainty definition
SD
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.
 PMID:38965384 · 2024Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0015",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "UNC8269",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1; Supplementary Figure 1",
  "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8269",
  "protein_id": "UP:O96028",
  "publication_year": 2024,
  "reference_id": "PMID:38965384",
  "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.",
  "replicates": "3 independent experiments",
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:NIE2024",
  "source_reported_uncertainty": "21",
  "source_reported_units": "nM",
  "source_reported_value": "36",
  "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
  "uncertainty": 21,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.021,
  "units": "nM",
  "value": 36,
  "value_operator": "=",
  "value_uM": 0.036,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC8325PREP:UNC8325 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 41 ± 19 nM0.041 µM · exact unit conversion
Experimental context
Replicates
3 independent experiments
Uncertainty definition
SD
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.
 PMID:38965384 · 2024Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0018",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "UNC8325",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1; Supplementary Figure 1",
  "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8325",
  "protein_id": "UP:O96028",
  "publication_year": 2024,
  "reference_id": "PMID:38965384",
  "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.",
  "replicates": "3 independent experiments",
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:NIE2024",
  "source_reported_uncertainty": "19",
  "source_reported_units": "nM",
  "source_reported_value": "41",
  "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
  "uncertainty": 19,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.019,
  "units": "nM",
  "value": 41,
  "value_operator": "=",
  "value_uM": 0.041,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC8732PREP:UNC8732 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 76 ± 4 nM0.076 µM · exact unit conversion
Experimental context
Replicates
3 independent experiments
Uncertainty definition
SD
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.
 PMID:38965384 · 2024Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0021",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N",
  "compound_name": "UNC8732",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Table 1; Supplementary Figure 1",
  "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8732",
  "protein_id": "UP:O96028",
  "publication_year": 2024,
  "reference_id": "PMID:38965384",
  "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.",
  "replicates": "3 independent experiments",
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:NIE2024",
  "source_reported_uncertainty": "4",
  "source_reported_units": "nM",
  "source_reported_value": "76",
  "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
  "uncertainty": 4,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.004,
  "units": "nM",
  "value": 76,
  "value_operator": "=",
  "value_uM": 0.076,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC8884PREP:UNC8884Negative / censored NSD2 PWWP1
Construct not curatedHomo sapiens		 qualitativeSPR qualitative no bindingqualitative control NB (no binding); no numeric Kd assigned.
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.
 PMID:38965384 · 2024Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0024",
  "assay_type": "SPR qualitative no binding",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "UNC8884",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "qualitative",
  "evidence_class": "qualitative_control",
  "evidence_location": "Table 1; Supplementary Figure 1",
  "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": true,
  "negative_control_scope": "Matched NSD2 ligand-binding negative control",
  "negative_evidence_scope": "Explicit SPR NB result; no numeric threshold or affinity inferred.",
  "numeric_transcription_status": "qualitative_or_not_reported",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8884",
  "protein_id": "UP:O96028",
  "publication_year": 2024,
  "qualitative_result": "NB (no binding); no numeric Kd assigned.",
  "reference_id": "PMID:38965384",
  "remaining_uncertainty": "Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "negative_control",
  "source_id": "P5:S:NIE2024",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "units": null,
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
HS13PREP:HS13 NSD2 PWWP1
Construct not curatedHomo sapiens		 Qualitative / associationQuantitative assay verification pendingabstract reported covalent association No quantitative observation curated
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
—
Buffer
Not curated
Conditions
{}
Qualification
Primary abstract reports Kd 8.33 µM and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.
 PMID:42442058 · 2026PubMed_primary_article_abstract_only
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": "Kd",
  "abstract_reported_method": null,
  "abstract_reported_units": "\u00b5M",
  "abstract_reported_value": 8.33,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0035",
  "assay_type": "Quantitative assay verification pending",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0035\", \"assay_type\": \"Quantitative assay verification pending\", \"ccd_id\": null, \"compound_name\": \"HS13\", \"conditions\": {}, \"domain\": \"PWWP1\", \"evidence_location\": \"Abstract\", \"evidence_url\": \"https://doi.org/10.1016/j.bmc.2026.118751\", \"gene\": \"NSD2\", \"interpretation\": \"Abstract describes C294 covalency and an affinity value; full assay details were inaccessible, so numerical pharmacology is intentionally uncurated.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": null, \"reference_id\": \"PMID:42442058\", \"role\": \"reported_covalent_ligand\", \"uncertainty\": null, \"units\": null, \"value\": null, \"value_operator\": \"=\", \"verification_level\": \"abstract_only_quantitative_verification_pending\"}",
  "buffer": null,
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "HS13",
  "conditions": "{}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "abstract_reported_covalent_association",
  "evidence_location": "Abstract",
  "evidence_url": "https://doi.org/10.1016/j.bmc.2026.118751",
  "gene": "NSD2",
  "interpretation": "Abstract describes C294 covalency and an affinity value; full assay details were inaccessible, so numerical pharmacology is intentionally uncurated.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "not_a_quantitative_affinity_record",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": null,
  "preparation_id": "PREP:HS13",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:42442058",
  "remaining_uncertainty": "Primary abstract reports Kd 8.33 \u00b5M and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.",
  "replicates": null,
  "role": "reported_covalent_ligand",
  "source_component_url": null,
  "source_id": "S08",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "PubMed_primary_article_abstract_only",
  "temperature_C": null,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": null,
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": "abstract_only_quantitative_verification_pending"
}

NSD3 PWWP1 · source-specific experiments

Reported observations for Domain B

Export CSV
PreparationTested target & constructMethod / endpointOriginal observationConditions & uncertaintySource & verification
BI-9321PREP:BI-9321 NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kddirect binding affinity = 166 ± 3 nM0.166 µM · exact unit conversion
Experimental context
Replicates
3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy
Uncertainty definition
SD
Temperature
—
Buffer
50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO
Conditions
{}
Qualification
Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.
 PMID:31285596 · 2019Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page
Original observation record
{
  "DMSO_percent": 2.0,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP:ASSAY:0008",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0008\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"EJE\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"BI-9321\", \"conditions\": {}, \"domain\": \"PWWP1\", \"evidence_location\": \"SGC probe developer report: Overview\", \"evidence_url\": \"https://www.thesgc.org/chemical-probes/bi-9321\", \"gene\": \"NSD3\", \"interpretation\": \"Primary developer website; original full article assay table was not retrieved.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6G2O\", \"reference_id\": \"PMID:31285596\", \"role\": \"reported_chemical_probe\", \"uncertainty\": null, \"units\": \"nM\", \"value\": 166, \"value_operator\": \"=\", \"verification_level\": \"primary_developer_assay_report_verified\"}",
  "buffer": "50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO",
  "ccd_id": "EJE",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "BI-9321",
  "conditions": "{}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "SGC probe developer report: Overview",
  "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321",
  "gene": "NSD3",
  "interpretation": "Primary developer website; original full article assay table was not retrieved.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": 8.0,
  "pdb_id": "6G2O",
  "preparation_id": "PREP:BI-9321",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": null,
  "reference_id": "PMID:31285596",
  "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263\u2013398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.",
  "replicates": "3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy",
  "role": "reported_chemical_probe",
  "source_component_url": null,
  "source_id": "S03",
  "source_reported_uncertainty": "3.0",
  "source_reported_units": "nM",
  "source_reported_value": "166",
  "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page",
  "temperature_C": null,
  "uncertainty": 3.0,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.003,
  "unit_conversion": null,
  "units": "nM",
  "value": 166.0,
  "value_operator": "=",
  "value_uM": 0.166,
  "verification_level": "primary_developer_assay_report_verified"
}
BI-9321PREP:BI-9321 NSD3 PWWP1
Construct not curatedHomo sapiens		 IC50NanoBRET IC50cellular interaction response = 1.2 ± 0.06 µM1.2 µM · exact unit conversion
Experimental context
Replicates
3 independent replicates (Figure 4e; also Supplementary Table 7)
Uncertainty definition
SD
Temperature
—
Buffer
Not curated
Conditions
{"cell_line": "U2OS"}
Qualification
The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.
 PMID:31285596 · 2019Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page
Original observation record
{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0009",
  "assay_type": "NanoBRET IC50",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0009\", \"assay_type\": \"NanoBRET IC50\", \"ccd_id\": \"EJE\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"BI-9321\", \"conditions\": {\"cell_line\": \"U2OS\"}, \"domain\": \"PWWP1\", \"evidence_location\": \"SGC probe developer report: Overview\", \"evidence_url\": \"https://www.thesgc.org/chemical-probes/bi-9321\", \"gene\": \"NSD3\", \"interpretation\": \"\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6G2O\", \"reference_id\": \"PMID:31285596\", \"role\": \"reported_chemical_probe\", \"uncertainty\": null, \"units\": \"\u00b5M\", \"value\": 1.2, \"value_operator\": \"=\", \"verification_level\": \"primary_developer_assay_report_verified\"}",
  "buffer": null,
  "ccd_id": "EJE",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "BI-9321",
  "conditions": "{\"cell_line\": \"U2OS\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "cellular_interaction_response",
  "evidence_location": "SGC probe developer report: Overview",
  "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321",
  "gene": "NSD3",
  "interpretation": null,
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "6G2O",
  "preparation_id": "PREP:BI-9321",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": null,
  "reference_id": "PMID:31285596",
  "remaining_uncertainty": "The value 1.2 \u00b1 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.",
  "replicates": "3 independent replicates (Figure 4e; also Supplementary Table 7)",
  "role": "reported_chemical_probe",
  "source_component_url": null,
  "source_id": "S03",
  "source_reported_uncertainty": "0.06",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.2",
  "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page",
  "temperature_C": null,
  "uncertainty": 0.06,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.06,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 1.2,
  "value_operator": "=",
  "value_uM": 1.2,
  "verification_level": "primary_developer_assay_report_verified"
}
BI-9321PREP:BI-9321 NSD3 PWWP1
247–402Homo sapiens		 KdITC Kddirect binding affinity = 1.7 ± 0.04 µM1.7 µM · exact unit conversion
Experimental context
Replicates
2 independent measurements
Uncertainty definition
SD
Temperature
15 °C
Buffer
50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP
Conditions
{'buffer': '50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP', 'compound_syringe_concentration_uM': 200, 'construct': 'NSD3 247–402 in pNICBio2, E. coli expressed', 'first_injection_removed': True, 'model': 'single binding site', 'pH': 6.8, 'protein_concentration_uM': 20, 'temperature_C': 15}
Qualification
Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.
 PMID:34469831 · 2022NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected
Original observation record
{
  "DMSO_percent": 1,
  "assay_construct_end": 402,
  "assay_construct_start": 247,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0001",
  "assay_type": "ITC Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
  "ccd_id": null,
  "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
  "compound_name": "BI-9321",
  "conditions": {
    "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
    "compound_syringe_concentration_uM": 200,
    "construct": "NSD3 247\u2013402 in pNICBio2, E. coli expressed",
    "first_injection_removed": true,
    "model": "single binding site",
    "pH": 6.8,
    "protein_concentration_uM": 20,
    "temperature_C": 15
  },
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
  "gene": "NSD3",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pH": 6.8,
  "pdb_id": null,
  "preparation_id": "PREP:BI-9321",
  "protein_id": "UP:Q9BZ95",
  "publication_year": 2022,
  "reference_id": "PMID:34469831",
  "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.",
  "replicates": "2 independent measurements",
  "retrieval_date": "2026-10-26",
  "role": "experimentally_studied_ligand",
  "source_id": "P5:S:XU2022",
  "source_reported_uncertainty": "0.04",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.7",
  "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
  "temperature_C": 15,
  "uncertainty": 0.04,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.04,
  "units": "\u00b5M",
  "value": 1.7,
  "value_operator": "=",
  "value_uM": 1.7,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
BI-9466PREP:BI-9466 NSD3 PWWP1
Construct not curatedHomo sapiens		 qualitativeOfficial SGC control activity summaryqualitative control SGC reports approximately 200-fold lower activity than BI-9321 and designates it the matched negative control.
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Endpoint-specific absolute numeric value and test construct not transcribed; no numerical affinity derived from the fold statement.
 P5:S:SGC_BI9321Official SGC probe page; explicit BI-9466 SMILES, InChI and InChIKey corroborated against PubChem
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0008",
  "assay_type": "Official SGC control activity summary",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N",
  "compound_name": "BI-9466",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint": "qualitative",
  "evidence_class": "qualitative_control",
  "evidence_location": "Overview",
  "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321",
  "gene": "NSD3",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "negative_control_scope": "Weaker NSD3-PWWP1 antagonist; use matched dose response per source",
  "numeric_transcription_status": "qualitative_or_not_reported",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:BI-9466",
  "protein_id": "UP:Q9BZ95",
  "publication_year": null,
  "qualitative_result": "SGC reports approximately 200-fold lower activity than BI-9321 and designates it the matched negative control.",
  "reference_id": "P5:S:SGC_BI9321",
  "remaining_uncertainty": "Endpoint-specific absolute numeric value and test construct not transcribed; no numerical affinity derived from the fold statement.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "negative_control",
  "source_id": "P5:S:SGC_BI9321",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Official SGC probe page; explicit BI-9466 SMILES, InChI and InChIKey corroborated against PubChem",
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "units": null,
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": "official_probe_resource_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
compound 11 (Collie 2025)PREP:COLLIE2025_11Negative / censored NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kd counter-screennegative binding test No binding
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD3 263–398", "purified_tags": "N-terminal 6His-TEV retained"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP11:ASSAY:0005",
  "assay_type": "SPR Kd counter-screen",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": null,
  "baseline_assay_record": 0,
  "baseline_original": null,
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity",
  "component_context": null,
  "compound_name": "compound 11 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263\u2013398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "negative_binding_test",
  "evidence_location": "Table 1 NSD3 (263\u2013398) column",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD3",
  "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_table",
  "numeric_value_inferred_from_structure": null,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_11",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": "No binding",
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "counter_target_assay",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": null,
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": null
}
compound 12 (Collie 2025)PREP:COLLIE2025_12Negative / censored NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kd counter-screennegative binding test No binding
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD3 263–398", "purified_tags": "N-terminal 6His-TEV retained"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP11:ASSAY:0006",
  "assay_type": "SPR Kd counter-screen",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": null,
  "baseline_assay_record": 0,
  "baseline_original": null,
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 12 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263\u2013398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "negative_binding_test",
  "evidence_location": "Table 1 NSD3 (263\u2013398) column",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD3",
  "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_table",
  "numeric_value_inferred_from_structure": null,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_12",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": "No binding",
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "counter_target_assay",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": null,
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": null
}
compound 13 (Collie 2025)PREP:COLLIE2025_13Negative / censored NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kd counter-screennegative binding test No binding
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD3 263–398", "purified_tags": "N-terminal 6His-TEV retained"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP11:ASSAY:0007",
  "assay_type": "SPR Kd counter-screen",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": null,
  "baseline_assay_record": 0,
  "baseline_original": null,
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 13 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263\u2013398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "negative_binding_test",
  "evidence_location": "Table 1 NSD3 (263\u2013398) column",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD3",
  "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_table",
  "numeric_value_inferred_from_structure": null,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_13",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": "No binding",
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "counter_target_assay",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": null,
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": null
}
compound 5 (Collie 2025)PREP:COLLIE2025_5Negative / censored NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kd counter-screencensored binding limit > 30 µM
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD3 263–398", "purified_tags": "N-terminal 6His-TEV retained"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP11:ASSAY:0002",
  "assay_type": "SPR Kd counter-screen",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": null,
  "baseline_assay_record": 0,
  "baseline_original": null,
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity",
  "component_context": null,
  "compound_name": "compound 5 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263\u2013398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "censored_binding_limit",
  "evidence_location": "Table 1 NSD3 (263\u2013398) column",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD3",
  "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_table",
  "numeric_value_inferred_from_structure": null,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_5",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "counter_target_assay",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 30.0,
  "value_operator": "\u003e",
  "value_uM": 30.0,
  "verification_level": null
}
compound 6 (Collie 2025)PREP:COLLIE2025_6Negative / censored NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kd counter-screencensored binding limit > 30 µM
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD3 263–398", "purified_tags": "N-terminal 6His-TEV retained"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP11:ASSAY:0003",
  "assay_type": "SPR Kd counter-screen",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": null,
  "baseline_assay_record": 0,
  "baseline_original": null,
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": null,
  "ccd_mapping_source": null,
  "chemical_id": null,
  "chemical_identity_status": "paper_label_exact_identity_unresolved",
  "component_context": null,
  "compound_name": "compound 6 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263\u2013398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "censored_binding_limit",
  "evidence_location": "Table 1 NSD3 (263\u2013398) column",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD3",
  "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_table",
  "numeric_value_inferred_from_structure": null,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_6",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "counter_target_assay",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 30.0,
  "value_operator": "\u003e",
  "value_uM": 30.0,
  "verification_level": null
}
compound 7 (Collie 2025)PREP:COLLIE2025_7Negative / censored NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kd counter-screencensored binding limit > 30 µM
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD3 263–398", "purified_tags": "N-terminal 6His-TEV retained"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP11:ASSAY:0004",
  "assay_type": "SPR Kd counter-screen",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": null,
  "baseline_assay_record": 0,
  "baseline_original": null,
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": "A1IEF",
  "ccd_mapping_source": null,
  "chemical_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "compound 7 (Collie 2025)",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263\u2013398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "censored_binding_limit",
  "evidence_location": "Table 1 NSD3 (263\u2013398) column",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD3",
  "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_table",
  "numeric_value_inferred_from_structure": null,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:COLLIE2025_7",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "counter_target_assay",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 30.0,
  "value_operator": "\u003e",
  "value_uM": 30.0,
  "verification_level": null
}
MS9715PREP:MS9715 NSD3 PWWP1
247–402Homo sapiens		 KdITC Kddirect binding affinity = 1.3 ± 0.17 µM1.3 µM · exact unit conversion
Experimental context
Replicates
2 independent measurements
Uncertainty definition
SD
Temperature
15 °C
Buffer
50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP
Conditions
{'buffer': '50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP', 'compound_syringe_concentration_uM': 200, 'construct': 'NSD3 247–402 in pNICBio2, E. coli expressed', 'first_injection_removed': True, 'model': 'single binding site', 'pH': 6.8, 'protein_concentration_uM': 20, 'temperature_C': 15}
Qualification
Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.
 PMID:34469831 · 2022NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected
Original observation record
{
  "DMSO_percent": 1,
  "assay_construct_end": 402,
  "assay_construct_start": 247,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0002",
  "assay_type": "ITC Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
  "ccd_id": null,
  "chemical_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N",
  "compound_name": "MS9715",
  "conditions": {
    "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
    "compound_syringe_concentration_uM": 200,
    "construct": "NSD3 247\u2013402 in pNICBio2, E. coli expressed",
    "first_injection_removed": true,
    "model": "single binding site",
    "pH": 6.8,
    "protein_concentration_uM": 20,
    "temperature_C": 15
  },
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
  "gene": "NSD3",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pH": 6.8,
  "pdb_id": null,
  "preparation_id": "PREP:MS9715",
  "protein_id": "UP:Q9BZ95",
  "publication_year": 2022,
  "reference_id": "PMID:34469831",
  "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.",
  "replicates": "2 independent measurements",
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:XU2022",
  "source_reported_uncertainty": "0.17",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.3",
  "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
  "temperature_C": 15,
  "uncertainty": 0.17,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.17,
  "units": "\u00b5M",
  "value": 1.3,
  "value_operator": "=",
  "value_uM": 1.3,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
MS9715NPREP:MS9715N NSD3 PWWP1
247–402Homo sapiens		 KdITC Kddirect binding affinity = 1.62 ± 0.33 µM1.62 µM · exact unit conversion
Experimental context
Replicates
2 independent measurements
Uncertainty definition
SD
Temperature
15 °C
Buffer
50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP
Conditions
{'buffer': '50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP', 'compound_syringe_concentration_uM': 200, 'construct': 'NSD3 247–402 in pNICBio2, E. coli expressed', 'first_injection_removed': True, 'model': 'single binding site', 'pH': 6.8, 'protein_concentration_uM': 20, 'temperature_C': 15}
Qualification
Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.
 PMID:34469831 · 2022NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected
Original observation record
{
  "DMSO_percent": 1,
  "assay_construct_end": 402,
  "assay_construct_start": 247,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0003",
  "assay_type": "ITC Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "MS9715N",
  "conditions": {
    "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
    "compound_syringe_concentration_uM": 200,
    "construct": "NSD3 247\u2013402 in pNICBio2, E. coli expressed",
    "first_injection_removed": true,
    "model": "single binding site",
    "pH": 6.8,
    "protein_concentration_uM": 20,
    "temperature_C": 15
  },
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
  "gene": "NSD3",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pH": 6.8,
  "pdb_id": null,
  "preparation_id": "PREP:MS9715N",
  "protein_id": "UP:Q9BZ95",
  "publication_year": 2022,
  "reference_id": "PMID:34469831",
  "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.",
  "replicates": "2 independent measurements",
  "retrieval_date": "2026-10-26",
  "role": "negative_control",
  "source_id": "P5:S:XU2022",
  "source_reported_uncertainty": "0.33",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.62",
  "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
  "temperature_C": 15,
  "uncertainty": 0.33,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.33,
  "units": "\u00b5M",
  "value": 1.62,
  "value_operator": "=",
  "value_uM": 1.62,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC6934PREP:UNC6934Negative / censored NSD3 PWWP1
263–398Homo sapiens		 KdSPR Kd counter-screencensored binding limit > 30 µM
Experimental context
Replicates
at least 3 independent replicates (Table 1 general SPR definition)
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
25 °C
Buffer
10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO
Conditions
{"assay_substitutions": "not listed for assay constructs; 9FOE crystallographic mutants kept separate", "phase3_verification": "SV05A/SV05B", "protein_construct": "NSD3 263–398", "purified_tags": "N-terminal 6His-TEV retained"}
Qualification
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
 PMID:40959233 · 2025Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected
Original observation record
{
  "DMSO_percent": 0.3,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": 398,
  "assay_construct_start": 263,
  "assay_record_id": "PWWP11:ASSAY:0001",
  "assay_type": "SPR Kd counter-screen",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": null,
  "baseline_assay_record": 0,
  "baseline_original": null,
  "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO",
  "ccd_id": "V01",
  "ccd_mapping_source": null,
  "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "UNC6934",
  "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263\u2013398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "censored_binding_limit",
  "evidence_location": "Table 1 NSD3 (263\u2013398) column",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
  "gene": "NSD3",
  "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_table",
  "numeric_value_inferred_from_structure": null,
  "pH": 7.5,
  "pdb_id": null,
  "preparation_id": "PREP:UNC6934",
  "protein_id": "UP:Q9BZ95",
  "qualitative_result": null,
  "reference_id": "PMID:40959233",
  "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
  "replicates": "at least 3 independent replicates (Table 1 general SPR definition)",
  "role": "counter_target_assay",
  "source_component_url": null,
  "source_id": "S05",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
  "temperature_C": 25,
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 30.0,
  "value_operator": "\u003e",
  "value_uM": 30.0,
  "verification_level": null
}