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Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.3", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.3, "value_operator": "=", "value_uM": 2.3, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.3", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.3, "value_operator": "=", "value_uM": 2.3, "verification_level": "primary_full_text_sections_verified" } ], "matched_assay_count": 2 }, { "aliases": [ "compound 12 (Collie 2025)" ], "assay_count": 4, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "compound_id": "PREP:COLLIE2025_12", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2", "NSD3" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Separated compound 11 fraction labelled isomer 1; retention time 7.1 min, reported dr 98.84:1.16. Absolute sulfolane assignment and exact CCD mapping remain unresolved; no affinity transfer from compound 11.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 4, "name": "compound 12 (Collie 2025)", "negative_count": 1, "observation_ids": [ "PWWP:ASSAY:0019", "PWWP:ASSAY:0026", "PWWP:ASSAY:0030", "PWWP11:ASSAY:0006" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:COLLIE2025_12" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "relationships": [], "relevant": true, "search_text": "compound 12 (collie 2025) prep:collie2025_12 compound 12 (collie 2025) nsd2 nsd3 up:o96028:pwwp1 up:q9bz95:pwwp1 {} pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0019", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "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_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"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": 1.47, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "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": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "8442401810e2aadfd1665c5eeea0277dbdac22d53576edb61b197394a72568dc", "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:0019", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"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:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "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:0026", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"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": 2.8, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "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": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "3747269f70111634bc31760ab463eec7d1644c36b4408103f7b1337719cdf35b", "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:0026", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"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:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.8", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.8, "value_operator": "=", "value_uM": 2.8, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.8", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.8, "value_operator": "=", "value_uM": 2.8, "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:0030", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "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": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 2.49, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. 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Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "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:0026", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"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": 2.8, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "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. 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Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "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:0027", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"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": 1.52, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "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": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "23dff55b7536c9d14f9e3fdd76f3c65682b87c47dfefba76a8520ced61390d22", "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:0027", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"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:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.05", "source_reported_units": "µM", "source_reported_value": "1.52", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.05, "uncertainty_type": "SD", "uncertainty_uM": 0.05, "unit_conversion": null, "units": "µM", "value": 1.52, "value_operator": "=", "value_uM": 1.52, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.05", "source_reported_units": "µM", "source_reported_value": "1.52", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.05, "uncertainty_type": "SD", "uncertainty_uM": 0.05, "unit_conversion": null, "units": "µM", "value": 1.52, "value_operator": "=", "value_uM": 1.52, "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:0031", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}", "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": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.31, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. 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Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. 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Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. 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Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. 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Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "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:0023", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"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": 5.83, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "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": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "2ca495755b7c142d98d53a6d46d2d74ebc975e8b2197645d350b35e9646a0bef", "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:0023", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"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:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.64", "source_reported_units": "µM", "source_reported_value": "5.83", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.64, "uncertainty_type": "SD", "uncertainty_uM": 0.64, "unit_conversion": null, "units": "µM", "value": 5.83, "value_operator": "=", "value_uM": 5.83, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.64", "source_reported_units": "µM", "source_reported_value": "5.83", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.64, "uncertainty_type": "SD", "uncertainty_uM": 0.64, "unit_conversion": null, "units": "µM", "value": 5.83, "value_operator": "=", "value_uM": 5.83, "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:0028", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "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": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.24, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. 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