Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50306934'   

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))	BDBM50306934 ((S)-4-(4-(3-(methylcarbamoyl)azetidin-1-yl)-6-phen...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)C(=O)NC |r| Show InChI InChI=1S/C32H42N6O7/c1-3-4-8-17-45-32(44)37-15-13-36(14-16-37)31(43)25(11-12-28(39)40)35-30(42)27-19-24(38-20-23(21-38)29(41)33-2)18-26(34-27)22-9-6-5-7-10-22/h5-7,9-10,18-19,23,25H,3-4,8,11-17,20-21H2,1-2H3,(H,33,41)(H,35,42)(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	1.70	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 Inhibition of human P2Y12 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1388-94 (2010) Article DOI: 10.1016/j.bmcl.2009.12.110 BindingDB Entry DOI: 10.7270/Q2ZP467B
					More data for this Ligand-Target Pair