Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50307718'   

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))	BDBM50307718 ((4S)-4-({[4-(5-Hydroxypentyl)-6-phenylpyridin-2-yl...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCCCO)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H44N4O7/c1-2-3-10-21-43-32(42)36-18-16-35(17-19-36)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-6-5-9-20-37)22-27(33-28)25-12-7-4-8-13-25/h4,7-8,12-13,22-23,26,37H,2-3,5-6,9-11,14-21H2,1H3,(H,34,40)(H,38,39)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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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