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No experimentally deposited PWWP-bound complex verified.","method":"SPR (publisher compound table header)","observation_id":"P6B:ASSAY:0011","positive_binding_interpretation":"Reported SPR PWWP-domain binding; PWWP1/PWWP2 instance and exact construct not independently established","preparation_id":"P6B:PREP:SYC5","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 31; 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":0.03,"uncertainty_type":"published \u00b1 statistic not independently confirmed","units":"\u00b5M","value":0.18,"value_text":"=0.18 \u00b1 0.03 \u00b5M","variant":null,"verification_status":"accepted_with_bounded_interpretation"},{"chemical_identity":{"chemical_id":"INCHIKEY:FATGNMUUDUSRIA-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":"FATGNMUUDUSRIA-UHFFFAOYSA-N","name":"SYC6","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=C(Br)C=C4)=CN=C1","source_id":"P6B:S:XIU2026","source_location":"Publisher compound table row 32","stereochemistry":"no specified stereocenters in published connectivity"},"compound_name":"SYC6","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:0012","positive_binding_interpretation":"Reported SPR PWWP-domain binding; PWWP1/PWWP2 instance and exact construct not independently established","preparation_id":"P6B:PREP:SYC6","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 32; 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":0.06,"uncertainty_type":"published \u00b1 statistic not independently confirmed","units":"\u00b5M","value":0.25,"value_text":"=0.25 \u00b1 0.06 \u00b5M","variant":null,"verification_status":"accepted_with_bounded_interpretation"},{"chemical_identity":{"chemical_id":"INCHIKEY:MDKWQMVHPQBHHH-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":"MDKWQMVHPQBHHH-UHFFFAOYSA-N","name":"SYC7","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(Br)=C4)=CN=C1","source_id":"P6B:S:XIU2026","source_location":"Publisher compound table row 33","stereochemistry":"no specified stereocenters in published connectivity"},"compound_name":"SYC7","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: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":12,"version":"phase6b-1.0.0"}
