Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50307603'   

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))	BDBM50307603 ((4S)4-[({4-[(1-Acetylpiperidin-4-yl)ethoxy]-6-phen...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(C)=O)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H47N5O8/c1-3-4-8-21-47-35(46)40-19-17-39(18-20-40)34(45)29(11-12-32(42)43)37-33(44)31-23-28(22-30(36-31)27-9-6-5-7-10-27)48-24-26-13-15-38(16-14-26)25(2)41/h5-7,9-10,22-23,26,29H,3-4,8,11-21,24H2,1-2H3,(H,37,44)(H,42,43)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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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