Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50436947'   

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))	BDBM50436947 (CHEMBL2402261) Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)NC(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O5S/c1-2-30-19(26)14-12-17(21)18(22-13-14)25-10-8-15(9-11-25)23-20(27)24-31(28,29)16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11H2,1H3,(H2,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436947 (CHEMBL2402261) Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)NC(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O5S/c1-2-30-19(26)14-12-17(21)18(22-13-14)25-10-8-15(9-11-25)23-20(27)24-31(28,29)16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11H2,1H3,(H2,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair