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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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "conditions": "{\"phase3_verification\": \"SV02A\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"AviTag/NSD2(208–368)/polyhistidine; biotinylated\", \"source_protocol_highest_concentration_uM\": 2}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figures 1–2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/", "gene": "NSD2", "interpretation": null, "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.091, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": "6XCG", "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2022, "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 211–350.", "replicates": "3 (triplicate experiments; independence level not specified)", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S02", "source_measurement_key": "7c16700328b32cfd3cd5e66dec0c4ccaa8b2dca48c21be5b56df68be8add7388", "source_original": { "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, "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 208–368\", \"purified_tags\": \"AviTag/NSD2(208–368)/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 1–2", "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 211–350.", "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" }, "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", "target_scope": "domain_specific", "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" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "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\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "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.", "is_measured": true, "is_negative": false, "method": "AlphaScreen", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.10400000000000001, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": "6XCG", "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2022, "qualitative_result": null, "reference_id": "PMID:34782742", "remaining_uncertainty": "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.", "replicates": "3 independent experiments; each 10-point curve in duplicate", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S02", "source_measurement_key": "ebb1bfa66d69be833d6a30c211d24a8fda7200d43b65ab3b9be6418909d92987", "source_original": { "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, "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 208–368\", \"readout\": \"His-NSD2-PWWP1 binding to H3K36me2 designer nucleosome\", \"tag\": \"6His\", \"temperature_scope\": \"23°C compound/protein and nucleosome preincubation; bead incubation room temperature\"}", "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°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.", "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" }, "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", "target_scope": "domain_specific", "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" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "conditions": "{\"cell_line\": \"U2OS\", \"readout\": \"NSD2 PWWP1–histone H3.3 interaction\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Unstandardized half-response concentration", "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.", "is_measured": true, "is_negative": false, "method": "NanoBRET PPI half-response", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": "6XCG", "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2022, "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_database": "Primary literature (frozen Atlas)", "source_id": "S02", "source_measurement_key": "73dd58f0b5956416fa5d2f849b2939bcaf1b614b24b1131628947441ac92994c", "source_original": { "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, "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–histone 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": "µM", "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": "µM", "value": 1.23, "value_operator": "=", "value_uM": 1.23, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.25", "source_reported_units": "µM", "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", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.25, "uncertainty_type": null, "uncertainty_uM": 0.25, "unit_conversion": null, "units": "µM", "value": 1.23, "value_operator": "=", "value_uM": 1.23, "verification_level": "primary_full_text_sections_verified" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "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\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "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.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.24, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2025, "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_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "b6a422c24a429b6fecbccb8c4722557675fbd65bfeca995764913f27fe18a750", "source_original": { "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, "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 208–368\", \"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": "µM", "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": "µM", "value": 0.24, "value_operator": "=", "value_uM": 0.24, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "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", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.24, "value_operator": "=", "value_uM": 0.24, "verification_level": "primary_full_text_sections_verified" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "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\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "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.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.33, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2025, "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_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "5c3b0577823f4dad06be18dce48cded60d31905a2adf864071aa56e64dcad6a9", "source_original": { "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, "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 211–350\", \"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": "µM", "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": "µM", "value": 1.33, "value_operator": "=", "value_uM": 1.33, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.19", "source_reported_units": "µM", "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", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.19, "uncertainty_type": "SD", "uncertainty_uM": 0.19, "unit_conversion": null, "units": "µM", "value": 1.33, "value_operator": "=", "value_uM": 1.33, "verification_level": "primary_full_text_sections_verified" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "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\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) 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.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:UNC6934", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "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_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "2d3d8be2eecdc71ef0bde5c1fc786cdfa6964ffc519e5f0b9249d5da8d89d31a", "source_original": { "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, "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 263–398\", \"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 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. 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universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0021", "PWWP:ASSAY:0014", "PWWP11:ASSAY:0001", "PWWP:ASSAY:0004", "PWWP:ASSAY:0005", "PWWP:ASSAY:0006" ], "source_site_ids": [ "PDB:6XCG:LIG:D:V01:401:.:SITE:UP:O96028:PWWP1:A", "PDB:6XCG:LIG:E:V01:401:.:SITE:UP:O96028:PWWP1:B", "PDB:6XCG:LIG:I:V01:401:.:SITE:UP:O96028:PWWP1:C" ], "structural_research_ligand": true, "structural_research_site_count": 3, "studied_compound": true, "total_observation_count": 6, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": false, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:6XCG:LIG:D:V01:401:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/V01", "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:6XCG:LIG:D:V01:401:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "reported_studied_structural_ligand", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:D:V01:401:.:SITE:UP:O96028:PWWP1:A", "source_role": "experimentally studied ligand", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:E:V01:401:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/V01", "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:6XCG:LIG:E:V01:401:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "reported_studied_structural_ligand", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:E:V01:401:.:SITE:UP:O96028:PWWP1:B", "source_role": "experimentally studied ligand", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:I:V01:401:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/V01", "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:6XCG:LIG:I:V01:401:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "reported_studied_structural_ligand", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:I:V01:401:.:SITE:UP:O96028:PWWP1:C", "source_role": "experimentally studied ligand", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": { "PWWP:ASSAY:0004": { "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0004", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "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 211–350.", "reported_cellular": false, "reported_control": false, "reported_probe": true, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S02", "source_location": "Results; Figures 1–2", "source_role": "reported_chemical_probe", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/", "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "nM", "value": 91.0, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0005": { "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "evidence_type": "biochemical_function", "explicitly_negative": false, "measured": true, "method": "AlphaScreen", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0005", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "remaining_uncertainty": "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.", "reported_cellular": false, "reported_control": false, "reported_probe": true, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S02", "source_location": "Discussion; biochemical characterization", "source_role": "reported_chemical_probe", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/", "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "nM", "value": 104.0, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0006": { "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "domain_id": "UP:O96028:PWWP1", "endpoint": "Unstandardized half-response concentration", "evidence_type": "cellular_activity", "explicitly_negative": false, "measured": true, "method": "NanoBRET PPI half-response", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0006", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "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.", "reported_cellular": true, "reported_control": false, "reported_probe": true, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S02", "source_location": "Results: cellular target engagement; Figure 4d", "source_role": "reported_chemical_probe", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/", "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.23, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0014": { "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0014", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "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.", "reported_cellular": false, "reported_control": false, "reported_probe": true, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "reported_chemical_probe", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "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", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 0.24, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0021": { "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0021", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "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.", "reported_cellular": false, "reported_control": false, "reported_probe": true, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "reported_chemical_probe", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "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", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.33, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0001": { "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "censored_binding", "explicitly_negative": true, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP11:ASSAY:0001", "operator": ">", "positive_direct_binder": false, "preparation_id": "PREP:UNC6934", "protein_id": "UP:Q9BZ95", "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.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1 NSD3 (263–398) column", "source_role": "counter_target_assay", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "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", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 30.0, "verification_status": "source_scope_unresolved" } }, "example": { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "conditions": "{\"phase3_verification\": \"SV02A\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"AviTag/NSD2(208–368)/polyhistidine; biotinylated\", \"source_protocol_highest_concentration_uM\": 2}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figures 1–2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/", "gene": "NSD2", "interpretation": null, "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.091, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": "6XCG", "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2022, "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 211–350.", "replicates": "3 (triplicate experiments; independence level not specified)", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S02", "source_measurement_key": "7c16700328b32cfd3cd5e66dec0c4ccaa8b2dca48c21be5b56df68be8add7388", "source_original": { "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, "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 208–368\", \"purified_tags\": \"AviTag/NSD2(208–368)/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 1–2", "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 211–350.", "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" }, "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", "target_scope": "domain_specific", "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" }, "matched_observations": [ { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "conditions": "{\"phase3_verification\": \"SV02A\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"AviTag/NSD2(208–368)/polyhistidine; biotinylated\", \"source_protocol_highest_concentration_uM\": 2}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figures 1–2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/", "gene": "NSD2", "interpretation": null, "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.091, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": "6XCG", "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2022, "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 211–350.", "replicates": "3 (triplicate experiments; independence level not specified)", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S02", "source_measurement_key": "7c16700328b32cfd3cd5e66dec0c4ccaa8b2dca48c21be5b56df68be8add7388", "source_original": { "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, "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 208–368\", \"purified_tags\": \"AviTag/NSD2(208–368)/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 1–2", "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 211–350.", "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" }, "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", "target_scope": "domain_specific", "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" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "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\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "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.", "is_measured": true, "is_negative": false, "method": "AlphaScreen", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.10400000000000001, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": "6XCG", "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2022, "qualitative_result": null, "reference_id": "PMID:34782742", "remaining_uncertainty": "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.", "replicates": "3 independent experiments; each 10-point curve in duplicate", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S02", "source_measurement_key": "ebb1bfa66d69be833d6a30c211d24a8fda7200d43b65ab3b9be6418909d92987", "source_original": { "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, "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 208–368\", \"readout\": \"His-NSD2-PWWP1 binding to H3K36me2 designer nucleosome\", \"tag\": \"6His\", \"temperature_scope\": \"23°C compound/protein and nucleosome preincubation; bead incubation room temperature\"}", "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°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.", "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" }, "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", "target_scope": "domain_specific", "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" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "conditions": "{\"cell_line\": \"U2OS\", \"readout\": \"NSD2 PWWP1–histone H3.3 interaction\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Unstandardized half-response concentration", "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.", "is_measured": true, "is_negative": false, "method": "NanoBRET PPI half-response", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": "6XCG", "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2022, "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_database": "Primary literature (frozen Atlas)", "source_id": "S02", "source_measurement_key": "73dd58f0b5956416fa5d2f849b2939bcaf1b614b24b1131628947441ac92994c", "source_original": { "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, "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–histone 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": "µM", "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": "µM", "value": 1.23, "value_operator": "=", "value_uM": 1.23, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.25", "source_reported_units": "µM", "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", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.25, "uncertainty_type": null, "uncertainty_uM": 0.25, "unit_conversion": null, "units": "µM", "value": 1.23, "value_operator": "=", "value_uM": 1.23, "verification_level": "primary_full_text_sections_verified" }, { "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, "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_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "compound_name": "UNC6934", "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\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "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.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.24, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:UNC6934", "protein_id": "UP:O96028", "publication_year": 2025, "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_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "b6a422c24a429b6fecbccb8c4722557675fbd65bfeca995764913f27fe18a750", "source_original": { "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, "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 208–368\", \"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. 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