Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50019017'   

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))	BDBM50019017 (CHEMBL3288123) Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced platelet aggregation after 5 to 90 mins by spectro...				Bioorg Med Chem Lett 24: 2963-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.001 BindingDB Entry DOI: 10.7270/Q24X59CQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50019017 (CHEMBL3288123) Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 mins				Bioorg Med Chem Lett 24: 2963-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.001 BindingDB Entry DOI: 10.7270/Q24X59CQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50019017 (CHEMBL3288123) Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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 ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co...				Bioorg Med Chem Lett 24: 2963-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.001 BindingDB Entry DOI: 10.7270/Q24X59CQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50019017 (CHEMBL3288123) Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 seconds				Bioorg Med Chem Lett 24: 2963-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.001 BindingDB Entry DOI: 10.7270/Q24X59CQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50019017 (CHEMBL3288123) Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 30 seconds				Bioorg Med Chem Lett 24: 2963-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.001 BindingDB Entry DOI: 10.7270/Q24X59CQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50019017 (CHEMBL3288123) Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 10 seconds				Bioorg Med Chem Lett 24: 2963-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.001 BindingDB Entry DOI: 10.7270/Q24X59CQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50019017 (CHEMBL3288123) Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte...				Bioorg Med Chem Lett 24: 2963-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.001 BindingDB Entry DOI: 10.7270/Q24X59CQ
					More data for this Ligand-Target Pair