Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50436942'   

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))	BDBM50436942 (CHEMBL2402150) Show SMILES CC(C)OC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2N4O5S2/c1-11(2)29-17(25)12-9-13(19)16(21-10-12)23-5-7-24(8-6-23)18(26)22-31(27,28)15-4-3-14(20)30-15/h3-4,9-11H,5-8H2,1-2H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436942 (CHEMBL2402150) Show SMILES CC(C)OC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2N4O5S2/c1-11(2)29-17(25)12-9-13(19)16(21-10-12)23-5-7-24(8-6-23)18(26)22-31(27,28)15-4-3-14(20)30-15/h3-4,9-11H,5-8H2,1-2H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	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