Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50039001   

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 6 (Homo sapiens (Human))	BDBM50209663 (CHEMBL374384 | MRS-2670 | diphosphoric acid 1-alph...) Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=S)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C15H24N2O16P2S/c18-3-5-8(19)10(21)12(23)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(30-6)17-2-1-7(36)16-15(17)24/h1-2,5-6,8-14,18-23H,3-4H2,(H,25,26)(H,27,28)(H,16,24,36)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303341 (Diphosphoric Acid 1-beta-Methyl Ester 2-(Uridine-5...) Show SMILES COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16N2O12P2/c1-21-25(17,18)24-26(19,20)22-4-5-7(14)8(15)9(23-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16)/p-2/t5-,7-,8-,9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303342 (Diphosphoric Acid 1-beta-Methyl Ester 2-(2-Thiouri...) Show SMILES COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C10H16N2O11P2S/c1-20-24(16,17)23-25(18,19)21-4-5-7(14)8(15)9(22-5)12-3-2-6(13)11-10(12)26/h2-3,5,7-9,14-15H,4H2,1H3,(H,16,17)(H,18,19)(H,11,13,26)/p-2/t5-,7-,8-,9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303343 (Diphosphoric Acid 1-beta-Ethyl Ester 2-(2-Thiourid...) Show SMILES CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C11H18N2O11P2S/c1-2-21-25(17,18)24-26(19,20)22-5-6-8(15)9(16)10(23-6)13-4-3-7(14)12-11(13)27/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,17,18)(H,19,20)(H,12,14,27)/p-2/t6-,8-,9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303337 (Diphosphoric Acid 1-beta-(4-Methoxyphenyl)Ester 2-...) Show SMILES COc1ccc(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1 |r| Show InChI InChI=1S/C16H20N2O13P2/c1-27-9-2-4-10(5-3-9)30-33(25,26)31-32(23,24)28-8-11-13(20)14(21)15(29-11)18-7-6-12(19)17-16(18)22/h2-7,11,13-15,20-21H,8H2,1H3,(H,23,24)(H,25,26)(H,17,19,22)/p-2/t11-,13-,14-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303333 (Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(2-Thi...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#C)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C13H18N2O11P2S/c1-2-3-6-23-27(19,20)26-28(21,22)24-7-8-10(17)11(18)12(25-8)15-5-4-9(16)14-13(15)29/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,19,20)(H,21,22)(H,14,16,29)/p-2/t8-,10-,11-,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303334 (Diphosphoric Acid 1-r-Glycerol Ester 2-(Uridine-5'...) Show SMILES OCC(O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H20N2O14P2/c15-3-6(16)4-25-29(21,22)28-30(23,24)26-5-7-9(18)10(19)11(27-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t6?,7-,9-,10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303335 (Diphosphoric Acid 1-beta-Glycerol Ester 2-(Uridine...) Show SMILES OCC(CO)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H20N2O14P2/c15-3-6(4-16)27-30(23,24)28-29(21,22)25-5-7-9(18)10(19)11(26-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t7-,9-,10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303336 (Diphosphoric Acid 1-beta-Cyclohexyl Ester 2-(Uridi...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OC1CCCCC1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H24N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,16,18,21)/p-2/t10-,12-,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50303332 (Diphosphoric Acid 1-beta-(2-Cyanoethyl)Ester 2-(Ur...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#N)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H17N3O12P2/c13-3-1-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)15-4-2-8(16)14-12(15)19/h2,4,7,9-11,17-18H,1,5-6H2,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t7-,9-,10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...				J Med Chem 53: 471-80 (2010) Article DOI: 10.1021/jm901432g BindingDB Entry DOI: 10.7270/Q2W95B4M
					More data for this Ligand-Target Pair