Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50374575'   

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))	BDBM50374575 (CHEMBL403928) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)CO)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H27N7O6/c1-2-25-24(34)30-21-18-22(28-12-27-21)31(13-29-18)23-20-19(15(35-23)10-26-16(33)11-32)36-17(37-20)9-8-14-6-4-3-5-7-14/h3-9,12-13,15,17,19-20,23,32H,2,10-11H2,1H3,(H,26,33)(H2,25,27,28,30,34)/b9-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair