Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50101892'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50101892 (2-(7-Ethoxy-4-hydroxy-2,2-dioxo-2H-2lambda*6*,9-di...) Show SMILES CCOc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(OCC)cc2s1)C3=O |c:13| Show InChI InChI=1S/C22H20N4O8S4/c1-3-33-12-5-7-14-17(9-12)35-21(23-14)24-37(29,30)11-16(27)19-20(28)26-15-8-6-13(34-4-2)10-18(15)36-22(26)25-38(19,31)32/h5-10,19H,3-4,11H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12				Bioorg Med Chem Lett 11: 1805-8 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RC2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50101892 (2-(7-Ethoxy-4-hydroxy-2,2-dioxo-2H-2lambda*6*,9-di...) Show SMILES CCOc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(OCC)cc2s1)C3=O |c:13| Show InChI InChI=1S/C22H20N4O8S4/c1-3-33-12-5-7-14-17(9-12)35-21(23-14)24-37(29,30)11-16(27)19-20(28)26-15-8-6-13(34-4-2)10-18(15)36-22(26)25-38(19,31)32/h5-10,19H,3-4,11H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50101892 (2-(7-Ethoxy-4-hydroxy-2,2-dioxo-2H-2lambda*6*,9-di...) Show SMILES CCOc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(OCC)cc2s1)C3=O |c:13| Show InChI InChI=1S/C22H20N4O8S4/c1-3-33-12-5-7-14-17(9-12)35-21(23-14)24-37(29,30)11-16(27)19-20(28)26-15-8-6-13(34-4-2)10-18(15)36-22(26)25-38(19,31)32/h5-10,19H,3-4,11H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12				Bioorg Med Chem Lett 11: 1805-8 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RC2
					More data for this Ligand-Target Pair