Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50057298'   

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))	BDBM50057298 (CHEMBL3322641) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCCC(O)C1 |r| Show InChI InChI=1S/C28H36N6O7/c1-2-41-28(40)33-15-13-32(14-16-33)27(39)21(10-11-24(36)37)30-26(38)22-17-23(34-12-6-9-20(35)18-34)31-25(29-22)19-7-4-3-5-8-19/h3-5,7-8,17,20-21,35H,2,6,9-16,18H2,1H3,(H,30,38)(H,36,37)/t20?,21-/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	21	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
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