Compile Data Set for Download or QSAR
Found 26 Enz. Inhib. hit(s) with all data for entry = 50000206
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242423(CHEMBL4098202)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C20H17N3O3S2/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,12H,10-11H2,1H3,(H,22,24,25)/b17-12-
Affinity DataIC50: 1.30E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242417(CHEMBL4091398)
Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(OCCNc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C19H15N3O3S2/c23-17-16(27-19(24)22-17)11-12-5-7-13(8-6-12)25-10-9-20-18-21-14-3-1-2-4-15(14)26-18/h1-8,11H,9-10H2,(H,20,21)(H,22,23,24)/b16-11-
Affinity DataIC50: 1.40E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242429(CHEMBL4075210)
Show SMILES CCN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C19H19N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,13H,2,11-12H2,1H3,(H,21,23,24)/b16-13-
Affinity DataIC50: 1.50E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242422(CHEMBL4090489)
Show SMILES CCN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H19N3O3S2/c1-2-24(20-22-16-5-3-4-6-17(16)28-20)11-12-27-15-9-7-14(8-10-15)13-18-19(25)23-21(26)29-18/h3-10,13H,2,11-12H2,1H3,(H,23,25,26)/b18-13-
Affinity DataIC50: 1.70E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242421(CHEMBL4095771)
Show SMILES CC(C)N(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C22H23N3O3S2/c1-14(2)25(21-23-17-5-3-4-6-18(17)29-21)11-12-28-16-9-7-15(8-10-16)13-19-20(26)24-22(27)30-19/h3-10,14,19H,11-13H2,1-2H3,(H,24,26,27)
Affinity DataIC50: 2.00E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242424(CHEMBL339359)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C20H19N3O3S2/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,17H,10-12H2,1H3,(H,22,24,25)
Affinity DataIC50: 2.00E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242425(CHEMBL4095614)
Show SMILES CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,16H,2,11-13H2,1H3,(H,21,23,24)
Affinity DataIC50: 2.10E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50030474(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
Affinity DataIC50: 2.20E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50103521(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
Affinity DataIC50: 2.20E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242427(CHEMBL4069463)
Show SMILES CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21N3O3S2/c1-2-24(20-22-16-5-3-4-6-17(16)28-20)11-12-27-15-9-7-14(8-10-15)13-18-19(25)23-21(26)29-18/h3-10,18H,2,11-13H2,1H3,(H,23,25,26)
Affinity DataIC50: 2.50E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242428(CHEMBL4088048)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H18N4O3S/c1-24(19-21-15-4-2-3-5-16(15)22-19)10-11-27-14-8-6-13(7-9-14)12-17-18(25)23-20(26)28-17/h2-9,12H,10-11H2,1H3,(H,21,22)(H,23,25,26)/b17-12-
Affinity DataIC50: 3.80E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242418(CHEMBL4059763)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O3S/c1-25(19-9-8-17-4-2-3-5-18(17)15-19)12-13-28-20-10-6-16(7-11-20)14-21-22(26)24-23(27)29-21/h2-11,14-15H,12-13H2,1H3,(H,24,26,27)/b21-14-
Affinity DataIC50: 4.00E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242420(CHEMBL4068424)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nccs1
Show InChI InChI=1S/C16H15N3O3S2/c1-19(15-17-6-9-23-15)7-8-22-12-4-2-11(3-5-12)10-13-14(20)18-16(21)24-13/h2-6,9-10H,7-8H2,1H3,(H,18,20,21)/b13-10-
Affinity DataIC50: 4.20E+4nMAssay Description:Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242420(CHEMBL4068424)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nccs1
Show InChI InChI=1S/C16H15N3O3S2/c1-19(15-17-6-9-23-15)7-8-22-12-4-2-11(3-5-12)10-13-14(20)18-16(21)24-13/h2-6,9-10H,7-8H2,1H3,(H,18,20,21)/b13-10-
Affinity DataEC50:  700nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242428(CHEMBL4088048)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H18N4O3S/c1-24(19-21-15-4-2-3-5-16(15)22-19)10-11-27-14-8-6-13(7-9-14)12-17-18(25)23-20(26)28-17/h2-9,12H,10-11H2,1H3,(H,21,22)(H,23,25,26)/b17-12-
Affinity DataEC50:  3.40E+3nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242427(CHEMBL4069463)
Show SMILES CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21N3O3S2/c1-2-24(20-22-16-5-3-4-6-17(16)28-20)11-12-27-15-9-7-14(8-10-15)13-18-19(25)23-21(26)29-18/h3-10,18H,2,11-13H2,1H3,(H,23,25,26)
Affinity DataEC50:  52nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242429(CHEMBL4075210)
Show SMILES CCN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C19H19N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,13H,2,11-12H2,1H3,(H,21,23,24)/b16-13-
Affinity DataEC50:  360nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242418(CHEMBL4059763)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O3S/c1-25(19-9-8-17-4-2-3-5-18(17)15-19)12-13-28-20-10-6-16(7-11-20)14-21-22(26)24-23(27)29-21/h2-11,14-15H,12-13H2,1H3,(H,24,26,27)/b21-14-
Affinity DataEC50:  1.60E+3nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242417(CHEMBL4091398)
Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(OCCNc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C19H15N3O3S2/c23-17-16(27-19(24)22-17)11-12-5-7-13(8-6-12)25-10-9-20-18-21-14-3-1-2-4-15(14)26-18/h1-8,11H,9-10H2,(H,20,21)(H,22,23,24)/b16-11-
Affinity DataEC50:  53nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242421(CHEMBL4095771)
Show SMILES CC(C)N(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C22H23N3O3S2/c1-14(2)25(21-23-17-5-3-4-6-18(17)29-21)11-12-28-16-9-7-15(8-10-16)13-19-20(26)24-22(27)30-19/h3-10,14,19H,11-13H2,1-2H3,(H,24,26,27)
Affinity DataEC50:  530nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242422(CHEMBL4090489)
Show SMILES CCN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H19N3O3S2/c1-2-24(20-22-16-5-3-4-6-17(16)28-20)11-12-27-15-9-7-14(8-10-15)13-18-19(25)23-21(26)29-18/h3-10,13H,2,11-12H2,1H3,(H,23,25,26)/b18-13-
Affinity DataEC50:  820nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242423(CHEMBL4098202)
Show SMILES CN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C20H17N3O3S2/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,12H,10-11H2,1H3,(H,22,24,25)/b17-12-
Affinity DataEC50:  310nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50103521(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
Affinity DataEC50:  1.10E+3nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242424(CHEMBL339359)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C20H19N3O3S2/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,17H,10-12H2,1H3,(H,22,24,25)
Affinity DataEC50:  57nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242425(CHEMBL4095614)
Show SMILES CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,16H,2,11-13H2,1H3,(H,21,23,24)
Affinity DataEC50:  540nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50030474(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
Affinity DataEC50:  1.10E+3nMAssay Description:Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair