Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50307702'   

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))	BDBM50307702 ((4S)-4-[({4-[3-(Dimethylamino)-3-oxopropyl]-6-phen...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCC(=O)N(C)C)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O7/c1-4-5-9-20-44-32(43)37-18-16-36(17-19-37)31(42)25(13-15-29(39)40)34-30(41)27-22-23(12-14-28(38)35(2)3)21-26(33-27)24-10-7-6-8-11-24/h6-8,10-11,21-22,25H,4-5,9,12-20H2,1-3H3,(H,34,41)(H,39,40)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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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