Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50436958'   

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))	BDBM50436958 (CHEMBL2402144) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation				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))	BDBM50436958 (CHEMBL2402144) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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))	BDBM50436958 (CHEMBL2402144) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	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