Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50436930'   

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))	BDBM50436930 (CHEMBL2402252) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O5S/c1-2-30-18(26)13-11-15(21)17(22-12-13)24-7-9-25(10-8-24)19(27)23-31(28,29)16-6-4-3-5-14(16)20/h3-6,11-12H,2,7-10H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	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))	BDBM50436930 (CHEMBL2402252) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O5S/c1-2-30-18(26)13-11-15(21)17(22-12-13)24-7-9-25(10-8-24)19(27)23-31(28,29)16-6-4-3-5-14(16)20/h3-6,11-12H,2,7-10H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	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))	BDBM50436930 (CHEMBL2402252) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O5S/c1-2-30-18(26)13-11-15(21)17(22-12-13)24-7-9-25(10-8-24)19(27)23-31(28,29)16-6-4-3-5-14(16)20/h3-6,11-12H,2,7-10H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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