| 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 pageOriginal 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 pageOriginal 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 inspectedOriginal 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 PubChemOriginal 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 inspectedOriginal 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 inspectedOriginal 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 inspectedOriginal 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 inspectedOriginal observation record{
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"abstract_reported_method": null,
"abstract_reported_units": null,
"abstract_reported_value": null,
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"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,
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"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,
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"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 inspectedOriginal observation record{
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"abstract_reported_endpoint": null,
"abstract_reported_method": null,
"abstract_reported_units": null,
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"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 inspectedOriginal observation record{
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"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 inspectedOriginal 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 inspectedOriginal 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 inspectedOriginal 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
} |