Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50306937'   

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))	BDBM50306937 ((S)-4-(4-(3-morpholinoazetidin-1-yl)-6-phenylpicol...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)N1CCOCC1 |r| Show InChI InChI=1S/C34H46N6O7/c1-2-3-7-18-47-34(45)39-14-12-38(13-15-39)33(44)28(10-11-31(41)42)36-32(43)30-22-26(21-29(35-30)25-8-5-4-6-9-25)40-23-27(24-40)37-16-19-46-20-17-37/h4-6,8-9,21-22,27-28H,2-3,7,10-20,23-24H2,1H3,(H,36,43)(H,41,42)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	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 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
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