Compile Data Set for Download or QSAR
Found 25 Enz. Inhib. hit(s) with all data for entry = 50008869
TargetCytochrome P450 1A2(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523014(CHEMBL4548931)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)7-8-22(25,26)12-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2D6(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523014(CHEMBL4548931)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)7-8-22(25,26)12-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C19(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523014(CHEMBL4548931)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)7-8-22(25,26)12-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C8(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523014(CHEMBL4548931)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)7-8-22(25,26)12-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C9(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523014(CHEMBL4548931)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)7-8-22(25,26)12-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 3A4(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523014(CHEMBL4548931)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)7-8-22(25,26)12-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523018(CHEMBL4577659)
Show SMILES CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H32N2O5S/c1-16(29-19-9-11-23(12-10-19)14-22(2,3)28-15-23)21-24-20(25-30-21)18-7-5-17(6-8-18)13-31(4,26)27/h5-8,16,19H,9-15H2,1-4H3/t16?,19-,23+
Affinity DataEC50:  426nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523019(CHEMBL4440715)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)cc1F
Show InChI InChI=1S/C23H30F2N2O5S/c1-14(31-16-5-7-23(8-6-16)12-22(2,3)30-13-23)21-26-20(27-32-21)17-10-18(24)15(9-19(17)25)11-33(4,28)29/h9-10,14,16H,5-8,11-13H2,1-4H3/t14-,16-,23+/m1/s1
Affinity DataEC50:  64nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523020(CHEMBL4466171)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H30F2N2O5S/c1-14(31-16-5-7-23(8-6-16)12-22(2,3)30-13-23)21-26-20(27-32-21)15-9-18(24)17(19(25)10-15)11-33(4,28)29/h9-10,14,16H,5-8,11-13H2,1-4H3/t14-,16-,23+/m1/s1
Affinity DataEC50:  5nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523021(CHEMBL4441437)
Show SMILES CC(O[C@H]1CC[C@@]2(CC1)CC(C)(C)CCO2)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H33FN2O5S/c1-16(31-19-7-9-24(10-8-19)15-23(2,3)11-12-30-24)22-26-21(27-32-22)17-5-6-18(20(25)13-17)14-33(4,28)29/h5-6,13,16,19H,7-12,14-15H2,1-4H3/t16?,19-,24+
Affinity DataEC50:  29nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523022(CHEMBL4549349)
Show SMILES CC(O[C@H]1CC[C@]2(CCCO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H27FN2O5S/c1-14(28-17-6-9-21(10-7-17)8-3-11-27-21)20-23-19(24-29-20)15-4-5-16(18(22)12-15)13-30(2,25)26/h4-5,12,14,17H,3,6-11,13H2,1-2H3/t14?,17-,21+
Affinity DataEC50:  720nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523023(CHEMBL4454946)
Show SMILES CC(O[C@H]1CC[C@]2(CCCCO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H29FN2O5S/c1-15(29-18-7-10-22(11-8-18)9-3-4-12-28-22)21-24-20(25-30-21)16-5-6-17(19(23)13-16)14-31(2,26)27/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3/t15?,18-,22+
Affinity DataEC50:  86nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523024(CHEMBL4515029)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H31FN2O5S/c1-15(30-18-7-9-23(10-8-18)13-22(2,3)29-14-23)21-25-20(26-31-21)16-5-6-17(19(24)11-16)12-32(4,27)28/h5-6,11,15,18H,7-10,12-14H2,1-4H3/t15-,18-,23+/m1/s1
Affinity DataEC50:  27nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523025(CHEMBL4525262)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CC(F)(F)CCO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)12-22(25,26)7-8-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataEC50:  27nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523026(CHEMBL4442686)
Show SMILES CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(C(=O)N(C)C)c(F)c1
Show InChI InChI=1S/C24H32FN3O4/c1-15(31-17-8-10-24(11-9-17)13-23(2,3)30-14-24)21-26-20(27-32-21)16-6-7-18(19(25)12-16)22(29)28(4)5/h6-7,12,15,17H,8-11,13-14H2,1-5H3/t15?,17-,24+
Affinity DataEC50:  2.46E+3nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523027(CHEMBL4466588)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1F
Show InChI InChI=1S/C23H30F2N2O5S/c1-14(31-16-7-9-23(10-8-16)12-22(2,3)30-13-23)21-26-20(27-32-21)17-6-5-15(11-33(4,28)29)18(24)19(17)25/h5-6,14,16H,7-13H2,1-4H3/t14-,16-,23+/m1/s1
Affinity DataEC50:  301nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523028(CHEMBL4456673)
Show SMILES CC(O[C@H]1CC[C@]2(CC(C)(C)CO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H31FN2O5S/c1-15(30-18-7-9-23(10-8-18)13-22(2,3)14-29-23)21-25-20(26-31-21)16-5-6-17(19(24)11-16)12-32(4,27)28/h5-6,11,15,18H,7-10,12-14H2,1-4H3/t15?,18-,23+
Affinity DataEC50:  31nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523029(CHEMBL4450117)
Show SMILES C[C@@H](O[C@H]1CC[C@]2(CC(F)(F)CO2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H24F4N2O5S/c1-12(31-14-3-5-20(6-4-14)10-21(24,25)11-30-20)19-26-18(27-32-19)13-7-16(22)15(17(23)8-13)9-33(2,28)29/h7-8,12,14H,3-6,9-11H2,1-2H3/t12-,14-,20+/m1/s1
Affinity DataEC50:  7nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523017(CHEMBL4583270)
Show SMILES C[C@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H31FN2O5S/c1-15(30-18-7-9-23(10-8-18)13-22(2,3)29-14-23)21-25-20(26-31-21)16-5-6-17(19(24)11-16)12-32(4,27)28/h5-6,11,15,18H,7-10,12-14H2,1-4H3/t15-,18-,23+/m0/s1
Affinity DataEC50:  430nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523016(CHEMBL4441091)
Show SMILES CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H31FN2O5S/c1-15(30-18-7-9-23(10-8-18)13-22(2,3)29-14-23)21-25-20(26-31-21)16-5-6-17(19(24)11-16)12-32(4,27)28/h5-6,11,15,18H,7-10,12-14H2,1-4H3/t15?,18-,23+
Affinity DataEC50:  44nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523015(CHEMBL4465577)
Show SMILES CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)OCc1nc(no1)-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C21H27FN2O5S/c1-20(2)12-21(13-28-20)8-6-15(7-9-21)27-11-18-23-19(24-29-18)14-4-5-17(16(22)10-14)30(3,25)26/h4-5,10,15H,6-9,11-13H2,1-3H3/t15-,21+
Affinity DataEC50:  261nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50508029(CHEMBL4467856)
Show SMILES CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN2O5S/c1-14(29-16-7-9-22(10-8-16)12-21(2,3)28-13-22)20-24-19(25-30-20)15-5-6-18(17(23)11-15)31(4,26)27/h5-6,11,14,16H,7-10,12-13H2,1-4H3/t14?,16-,22+
Affinity DataEC50:  89nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523014(CHEMBL4548931)
Show SMILES C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)7-8-22(25,26)12-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
Affinity DataEC50:  6nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523012(CHEMBL4476507)
Show SMILES CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CC(=O)N(C)C)c(F)c1
Show InChI InChI=1S/C25H34FN3O4/c1-16(32-19-8-10-25(11-9-19)14-24(2,3)31-15-25)23-27-22(28-33-23)18-7-6-17(20(26)12-18)13-21(30)29(4)5/h6-7,12,16,19H,8-11,13-15H2,1-5H3/t16?,19-,25+
Affinity DataEC50:  69nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlucose-dependent insulinotropic receptor(Homo sapiens (Human))
Japan Tobacco Inc.

Curated by ChEMBL
LigandPNGBDBM50523013(CHEMBL4458134)
Show SMILES CC(O[C@H]1CC[C@@]2(CC1)CCC(C)(C)CO2)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H33FN2O5S/c1-16(31-19-7-9-24(10-8-19)12-11-23(2,3)15-30-24)22-26-21(27-32-22)17-5-6-18(20(25)13-17)14-33(4,28)29/h5-6,13,16,19H,7-12,14-15H2,1-4H3/t16?,19-,24+
Affinity DataEC50:  25nMAssay Description:Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid