{ "version": { "version": "phase5-1.0.0", "date": "2026-10-26", "frozen_database_sha256": "0c53107a39e222b48611302b21fda5fb4ed50b190b6b39d41423ccc5ca5958f6", "chemical_identities": 148, "profiles": 163, "relevant_profiles": 132, "preparations": 30, "observations": 80, "frozen_observations": 46, "new_observations": 34, "bioactivity_only_profiles": 21, "exact_PWWP_structural_profiles": 130, "verified_depictions": 139, "reconciled_duplicate_rows": 0, "candidate_records": 150, "curated_scope": "Documented targeted snapshot; not an exhaustive inventory of all literature compounds. Coordinate proximity and assay measurements are independent evidence dimensions." }, "filters": { "q": "PREP:COLLIE2025_13", "protein": "", "domain": "", "bound": "", "pdb": "", "identity": "", "role": "", "method": "", "endpoint": "", "relation": "", "potency_min": "", "potency_max": "", "source": "", "year": "", "organism": "", "construct": "", "status": "", "missing": "", "scope": "all_components", "view": "gallery", "sort": "" }, "compounds": [ { "aliases": [ "compound 13 (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_13", "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 2; retention time 8.2 min, reported dr 97.10:2.90. 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 13 (Collie 2025)", "negative_count": 1, "observation_ids": [ "PWWP:ASSAY:0020", "PWWP:ASSAY:0027", "PWWP:ASSAY:0031", "PWWP11:ASSAY:0007" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:COLLIE2025_13" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "relationships": [], "relevant": true, "search_text": "compound 13 (collie 2025) prep:collie2025_13 compound 13 (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:0020", "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 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": 0.75, "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": "8e607bd0772fa5b5408e9caa6c2b03b268a75ebc751a734da6ceeffaae7a9b25", "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:0020", "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 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_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.04", "source_reported_units": "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. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "48275fd9fdea6ff27fae10557702a222d347e90ef5e2116d97636f5b848d58cc", "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: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_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, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "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:0007", "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": 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\": \"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": "negative_binding_test", "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:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "90656979dac17e2b041d234cb37443263e687f28dc11a9475b24db6fafad2e6e", "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:0007", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "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.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "context_structures": [], "context_assay_count": 4, "context_measured_count": 4, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 4, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 4, "name": "compound 13 (Collie 2025)", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0027", "PWWP:ASSAY:0020", "PWWP11:ASSAY:0007", "PWWP:ASSAY:0031" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 4, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0020": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "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:0020", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_13", "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": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "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": 0.75, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0027": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "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:0027", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_13", "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": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "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": 1.52, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0031": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "evidence_type": "biochemical_function", "explicitly_negative": false, "measured": true, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0031", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "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", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.31, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0007": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "negative_binding", "explicitly_negative": true, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP11:ASSAY:0007", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_13", "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": null, "value": null, "verification_status": "source_scope_unresolved" } }, "example": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0020", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "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 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": 0.75, "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": "8e607bd0772fa5b5408e9caa6c2b03b268a75ebc751a734da6ceeffaae7a9b25", "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:0020", "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 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_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.04", "source_reported_units": "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" }, "matched_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:0020", "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 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": 0.75, "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": "8e607bd0772fa5b5408e9caa6c2b03b268a75ebc751a734da6ceeffaae7a9b25", "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:0020", "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 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_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.04", "source_reported_units": "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. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "48275fd9fdea6ff27fae10557702a222d347e90ef5e2116d97636f5b848d58cc", "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: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_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, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "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:0007", "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": 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\": \"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": "negative_binding_test", "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:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "90656979dac17e2b041d234cb37443263e687f28dc11a9475b24db6fafad2e6e", "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:0007", "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": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "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.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "matched_assay_count": 4 } ] }