Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50057278'   

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))	BDBM50057278 (CHEMBL3322631) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H33N5O7/c1-3-42-30(40)35-17-15-34(16-18-35)29(39)23(13-14-26(36)37)33-28(38)25-19-24(20-9-11-22(41-2)12-10-20)31-27(32-25)21-7-5-4-6-8-21/h4-12,19,23H,3,13-18H2,1-2H3,(H,33,38)(H,36,37)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...				Bioorg Med Chem Lett 24: 4323-31 (2014) Article DOI: 10.1016/j.bmcl.2014.06.070 BindingDB Entry DOI: 10.7270/Q28C9XW4
					More data for this Ligand-Target Pair