Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50397164'   

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))	BDBM50397164 (CHEMBL2172150) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OC1CCC1 |r| Show InChI InChI=1S/C35H45N7O9/c43-29(41-16-6-13-28(41)33(47)36-23-7-4-8-23)22-50-30-21-27(38-42(30)24-9-2-1-3-10-24)32(46)37-26(14-15-31(44)45)34(48)39-17-19-40(20-18-39)35(49)51-25-11-5-12-25/h1-3,9-10,21,23,25-26,28H,4-8,11-20,22H2,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
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