Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50436952'   

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))	BDBM50436952 (CHEMBL2402142) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(C(CCC(O)=O)C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C22H21ClF3N5O7S2/c1-2-38-20(34)14-9-12(10-27)19(28-18(14)22(24,25)26)30-7-8-31(13(11-30)3-5-16(32)33)21(35)29-40(36,37)17-6-4-15(23)39-17/h4,6,9,13H,2-3,5,7-8,11H2,1H3,(H,29,35)(H,32,33)	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))	BDBM50436952 (CHEMBL2402142) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(C(CCC(O)=O)C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C22H21ClF3N5O7S2/c1-2-38-20(34)14-9-12(10-27)19(28-18(14)22(24,25)26)30-7-8-31(13(11-30)3-5-16(32)33)21(35)29-40(36,37)17-6-4-15(23)39-17/h4,6,9,13H,2-3,5,7-8,11H2,1H3,(H,29,35)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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))	BDBM50436952 (CHEMBL2402142) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(C(CCC(O)=O)C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C22H21ClF3N5O7S2/c1-2-38-20(34)14-9-12(10-27)19(28-18(14)22(24,25)26)30-7-8-31(13(11-30)3-5-16(32)33)21(35)29-40(36,37)17-6-4-15(23)39-17/h4,6,9,13H,2-3,5,7-8,11H2,1H3,(H,29,35)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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