Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50307562'   

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))	BDBM50307562 ((4S)4-[({4-[(Morpholin-4-ylacetyl)mino]-6-phenylpy...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)N2CCOCC2)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C36H50N6O8/c1-5-6-10-21-49-35(47)42-17-15-40(16-18-42)33(45)28(13-14-31(43)50-36(2,3)4)39-32(44)30-25-27(37-34(46)41-19-22-48-23-20-41)24-29(38-30)26-11-8-7-9-12-26/h7-9,11-12,24-25,28H,5-6,10,13-23H2,1-4H3,(H,39,44)(H,37,38,46)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells				J Med Chem 53: 2010-37 (2010) Article DOI: 10.1021/jm901518t BindingDB Entry DOI: 10.7270/Q2HH6K50
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