Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50436935'   

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))	BDBM50436935 (CHEMBL2402145) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1C[C@@H]2C[C@H]1CN2C(=O)NS(=O)(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C20H20ClN5O5S2/c1-3-31-19(27)15-6-12(8-22)18(23-11(15)2)25-9-14-7-13(25)10-26(14)20(28)24-33(29,30)17-5-4-16(21)32-17/h4-6,13-14H,3,7,9-10H2,1-2H3,(H,24,28)/t13-,14-/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	690	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))	BDBM50436935 (CHEMBL2402145) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1C[C@@H]2C[C@H]1CN2C(=O)NS(=O)(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C20H20ClN5O5S2/c1-3-31-19(27)15-6-12(8-22)18(23-11(15)2)25-9-14-7-13(25)10-26(14)20(28)24-33(29,30)17-5-4-16(21)32-17/h4-6,13-14H,3,7,9-10H2,1-2H3,(H,24,28)/t13-,14-/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	2.90E+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