{"count":9,"filters":{"construct":"","domain":"","endpoint":"","evidence_type":"","max_um":"","method":"","min_um":"","missing":"","protein":"UP:Q9BZ95","q":"","result":"","scope":"","source":"","structure":"","variant":"","verification":"","year":""},"observations":[{"chemical_identity":{"chemical_id":"INCHIKEY:RXBCCPFICHOEAD-UHFFFAOYSA-N","identity_provenance":"Exact published molecular graph calculated independently with RDKit; does not establish assayed composition","identity_scope":"source_reported_parent_connectivity_only","inchikey":"RXBCCPFICHOEAD-UHFFFAOYSA-N","name":"SYC2","preparation_uncertainty":"No independent salt/solvate/assayed batch confirmation","smiles_reported":"FC1=CC(NC2=C(N=C3C=CC(CN)=CN32)C4=CC=C(Cl)C=C4)=CN=C1","source_id":"P6B:S:XIU2026","source_location":"Publisher compound table row 28","stereochemistry":"no specified stereocenters in published connectivity"},"compound_name":"SYC2","conditions":null,"domain_id":null,"endpoint":"Kd","evidence_type":"source_reported_binding","has_unmodified_binary_pwwp_structure":false,"identity_status":"parent_graph_verified_assayed_material_unresolved","limitation":"Published SMILES and SPR column verified; original construct, statistic definition, replicate count and tested lot/salt remain unresolved. Not assignable to NSD3 PWWP1/PWWP2.","method":"SPR (publisher compound table header)","observation_id":"P6B:ASSAY:0005","positive_binding_interpretation":"reported PWWP affinity, but PWWP1 vs PWWP2 attribution remains unverified","preparation_id":"P6B:PREP:SYC2","protein_id":"UP:Q9BZ95","relation":"=","replicates":null,"source_doi":"10.1021/acs.jmedchem.6c00983","source_id":"P6B:S:XIU2026","source_location":"Publisher compound table row 28; SPR Kd (\u00b5M) column, corroborated by abstract","source_title":"AI-Driven Discovery of a Hydrophobic-Tag Degrader Targeting NSD3 for Lung Squamous Carcinoma Therapy","source_url":"https://pubs.acs.org/doi/10.1021/acs.jmedchem.6c00983","structure_links":[],"target_scope":"NSD3_PWWP_instance_unresolved","tested_construct":null,"uncertainty":0.01,"uncertainty_type":"published \u00b1 statistic not independently confirmed","units":"\u00b5M","value":0.07,"value_text":"=0.07 \u00b1 0.01 \u00b5M","variant":null,"verification_status":"accepted_with_bounded_interpretation"},{"chemical_identity":{"chemical_id":"INCHIKEY:DOSJMSHGMVSFEH-UHFFFAOYSA-N","identity_provenance":"Original publisher scientific article table SMILES, RDKit-parsed and independent InChIKey; tested preparation remains distinct","identity_scope":"source_reported_parent_connectivity_only","inchikey":"DOSJMSHGMVSFEH-UHFFFAOYSA-N","name":"SYB7","preparation_uncertainty":"Actual assayed salt/solvate/batch has not been independently confirmed","smiles_reported":"FC1=CC(NC2=C(N=C3C=CC(C(O)=O)=CN32)C4=CC=CC=C4)=CN=C1","source_id":"P6B:S:XIU2026","source_location":"Publisher compound table row 20","stereochemistry":"no specified stereocenters in published connectivity"},"compound_name":"SYB7","conditions":"Original article table lacks complete assay condition and tested construct details","domain_id":null,"endpoint":"Kd","evidence_type":"source_reported_negative_binding","has_unmodified_binary_pwwp_structure":false,"identity_status":"parent_graph_verified_assayed_material_unresolved","limitation":"Censored lower bound only; no numeric exact Kd or biological inactivity conclusion.","method":"SPR (publisher compound table header)","observation_id":"P6B:ASSAY:0006","positive_binding_interpretation":"Source reports Kd >20 \u00b5M; do NOT interpret as exact Kd, positive binder or categorical inactivity","preparation_id":"P6B:PREP:SYB7","protein_id":"UP:Q9BZ95","relation":">","replicates":null,"source_doi":"10.1021/acs.jmedchem.6c00983","source_id":"P6B:S:XIU2026","source_location":"Publisher source compound table row 20; SPR Kd (\u00b5M) column","source_title":"AI-Driven Discovery of a Hydrophobic-Tag Degrader Targeting NSD3 for Lung Squamous Carcinoma Therapy","source_url":"https://pubs.acs.org/doi/10.1021/acs.jmedchem.6c00983","structure_links":[],"target_scope":"NSD3_PWWP_instance_unresolved","tested_construct":null,"uncertainty":null,"uncertainty_type":"censored lower bound, no fitted uncertainty","units":"\u00b5M","value":20.0,"value_text":">20 \u00b5M","variant":null,"verification_status":"accepted_with_bounded_interpretation"},{"chemical_identity":{"chemical_id":"INCHIKEY:OLIAIHCMUGPGGD-UHFFFAOYSA-N","identity_provenance":"Original publisher scientific article table SMILES, RDKit-parsed and independent InChIKey; tested preparation remains distinct","identity_scope":"source_reported_parent_connectivity_only","inchikey":"OLIAIHCMUGPGGD-UHFFFAOYSA-N","name":"SYB10","preparation_uncertainty":"Actual assayed salt/solvate/batch has not been independently confirmed","smiles_reported":"FC1=CC(NC2=C(N=C3C=CC(CN)=CN32)C4=CC=CC=C4)=CN=C1","source_id":"P6B:S:XIU2026","source_location":"Publisher compound table row 23","stereochemistry":"no specified stereocenters in published connectivity"},"compound_name":"SYB10","conditions":"Original article table lacks complete assay condition and tested construct details","domain_id":null,"endpoint":"Kd","evidence_type":"source_reported_binding","has_unmodified_binary_pwwp_structure":false,"identity_status":"parent_graph_verified_assayed_material_unresolved","limitation":"Binding method supported by publisher table header; experimental sequence/variant, statistic and salt/lot remain uncertain. No experimentally deposited PWWP-bound complex verified.","method":"SPR (publisher compound table header)","observation_id":"P6B:ASSAY:0007","positive_binding_interpretation":"Reported SPR PWWP-domain binding; PWWP1/PWWP2 instance and exact construct not independently established","preparation_id":"P6B:PREP:SYB10","protein_id":"UP:Q9BZ95","relation":"=","replicates":null,"source_doi":"10.1021/acs.jmedchem.6c00983","source_id":"P6B:S:XIU2026","source_location":"Publisher source compound table row 23; SPR Kd (\u00b5M) column","source_title":"AI-Driven Discovery of a Hydrophobic-Tag Degrader Targeting NSD3 for Lung Squamous Carcinoma Therapy","source_url":"https://pubs.acs.org/doi/10.1021/acs.jmedchem.6c00983","structure_links":[],"target_scope":"NSD3_PWWP_instance_unresolved","tested_construct":null,"uncertainty":0.07,"uncertainty_type":"published \u00b1 statistic not independently confirmed","units":"\u00b5M","value":0.11,"value_text":"=0.11 \u00b1 0.07 \u00b5M","variant":null,"verification_status":"accepted_with_bounded_interpretation"},{"chemical_identity":{"chemical_id":"INCHIKEY:XZKIJQSPRFYBOI-UHFFFAOYSA-N","identity_provenance":"Original publisher scientific article table SMILES, RDKit-parsed and independent InChIKey; tested preparation remains distinct","identity_scope":"source_reported_parent_connectivity_only","inchikey":"XZKIJQSPRFYBOI-UHFFFAOYSA-N","name":"SYB11","preparation_uncertainty":"Actual assayed salt/solvate/batch has not been independently confirmed","smiles_reported":"FC1=CC(NC2=C(N=C3C=CC(CNC(OC(C)(C)C)=O)=CN32)C4=CC=CC=C4)=CN=C1","source_id":"P6B:S:XIU2026","source_location":"Publisher compound table row 24","stereochemistry":"no specified stereocenters in published connectivity"},"compound_name":"SYB11","conditions":"Original article table lacks complete assay condition and tested construct details","domain_id":null,"endpoint":"Kd","evidence_type":"source_reported_binding","has_unmodified_binary_pwwp_structure":false,"identity_status":"parent_graph_verified_assayed_material_unresolved","limitation":"Binding method supported by publisher table header; experimental sequence/variant, statistic and salt/lot remain uncertain. 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No experimentally deposited PWWP-bound complex verified.","method":"SPR (publisher compound table header)","observation_id":"P6B:ASSAY:0013","positive_binding_interpretation":"Reported SPR PWWP-domain binding; PWWP1/PWWP2 instance and exact construct not independently established","preparation_id":"P6B:PREP:SYC7","protein_id":"UP:Q9BZ95","relation":"=","replicates":null,"source_doi":"10.1021/acs.jmedchem.6c00983","source_id":"P6B:S:XIU2026","source_location":"Publisher source compound table row 33; SPR Kd (\u00b5M) column","source_title":"AI-Driven Discovery of a Hydrophobic-Tag Degrader Targeting NSD3 for Lung Squamous Carcinoma Therapy","source_url":"https://pubs.acs.org/doi/10.1021/acs.jmedchem.6c00983","structure_links":[],"target_scope":"NSD3_PWWP_instance_unresolved","tested_construct":null,"uncertainty":0.32,"uncertainty_type":"published \u00b1 statistic not independently confirmed","units":"\u00b5M","value":7.69,"value_text":"=7.69 \u00b1 0.32 \u00b5M","variant":null,"verification_status":"accepted_with_bounded_interpretation"}],"preparation_count":9,"version":"phase6b-1.0.0"}