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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50000206   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242423
PNG
(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-
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n/an/a 1.30E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242417
PNG
(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-
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n/an/a 1.40E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242429
PNG
(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-
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n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242422
PNG
(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-
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n/an/a 1.70E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242421
PNG
(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)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242424
PNG
(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)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242425
PNG
(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)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50030474
PNG
(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)
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n/an/a 2.20E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103521
PNG
(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)
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n/an/a 2.20E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242427
PNG
(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)
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n/an/a 2.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242428
PNG
(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-
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n/an/a 3.80E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242418
PNG
(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-
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n/an/a 4.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242420
PNG
(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-
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n/an/a 4.20E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat...


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242420
PNG
(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-
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n/an/an/an/a 700n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242428
PNG
(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-
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n/an/an/an/a 3.40E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242427
PNG
(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)
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n/an/an/an/a 52n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242429
PNG
(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-
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n/an/an/an/a 360n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242418
PNG
(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-
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n/an/an/an/a 1.60E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242417
PNG
(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-
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n/an/an/an/a 53n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242421
PNG
(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)
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n/an/an/an/a 530n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242422
PNG
(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-
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n/an/an/an/a 820n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242423
PNG
(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-
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n/an/an/an/a 310n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103521
PNG
(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)
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n/an/an/an/a 1.10E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242424
PNG
(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)
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n/an/an/an/a 57n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50242425
PNG
(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)
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n/an/an/an/a 540n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50030474
PNG
(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)
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n/an/an/an/a 1.10E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 2776-2780 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.061
BindingDB Entry DOI: 10.7270/Q2251MKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)