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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50045314   
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))
BDBM28702
PNG
(2-[2-methyl-4-(2-{4-methyl-2-[4-(trifluoromethyl)p...)
Show SMILES Cc1nc(sc1CCc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H20F3NO3S/c1-13-11-15(3-9-18(13)29-12-20(27)28)4-10-19-14(2)26-21(30-19)16-5-7-17(8-6-16)22(23,24)25/h3,5-9,11H,4,10,12H2,1-2H3,(H,27,28)
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n/an/an/an/a 1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28703
PNG
(2-methyl-2-[4-(2-{4-methyl-2-[4-(trifluoromethyl)p...)
Show SMILES Cc1nc(sc1CCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO3S/c1-14-19(31-20(27-14)16-7-9-17(10-8-16)23(24,25)26)13-6-15-4-11-18(12-5-15)30-22(2,3)21(28)29/h4-5,7-12H,6,13H2,1-3H3,(H,28,29)
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n/an/an/an/a 1.87E+3n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28704
PNG
(2-methyl-2-[4-({4-methyl-2-[4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(sc1C(=O)Nc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N2O4S/c1-12-17(32-19(26-12)13-4-6-14(7-5-13)22(23,24)25)18(28)27-15-8-10-16(11-9-15)31-21(2,3)20(29)30/h4-11H,1-3H3,(H,27,28)(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28705
PNG
(2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)p...)
Show SMILES Cc1nc(sc1CNCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O3S/c1-14-19(32-20(28-14)16-6-8-17(9-7-16)23(24,25)26)13-27-12-15-4-10-18(11-5-15)31-22(2,3)21(29)30/h4-11,27H,12-13H2,1-3H3,(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28706
PNG
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28707
PNG
(2-methyl-2-phenoxypropanoic acid, 27 | 2-methyl-2-...)
Show SMILES CN(Cc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)c1sc(nc1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4S/c1-14-19(34-20(28-14)16-7-9-17(10-8-16)24(25,26)27)21(30)29(4)13-15-5-11-18(12-6-15)33-23(2,3)22(31)32/h5-12H,13H2,1-4H3,(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28708
PNG
(2-methyl-2-phenoxypropanoic acid, 34 | 2-methyl-2-...)
Show SMILES Cc1nc(sc1CNC(=O)c1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-4-8-16(9-5-15)23(24,25)26)12-27-19(29)14-6-10-17(11-7-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28709
PNG
(2-methyl-2-phenoxypropanoic acid, 37 | 2-methyl-2-...)
Show SMILES Cc1nc(sc1C(=O)NCCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4S/c1-14-19(34-21(29-14)16-6-8-17(9-7-16)24(25,26)27)20(30)28-13-12-15-4-10-18(11-5-15)33-23(2,3)22(31)32/h4-11H,12-13H2,1-3H3,(H,28,30)(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28710
PNG
(2-[4-({[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazo...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H30N2O4S/c1-16-21(33-23(28-16)18-9-11-19(12-10-18)25(2,3)4)22(29)27-15-17-7-13-20(14-8-17)32-26(5,6)24(30)31/h7-14H,15H2,1-6H3,(H,27,29)(H,30,31)
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n/an/an/an/a 860n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28711
PNG
(2-methyl-2-phenoxypropanoic acid, 25c | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O5S/c1-13-18(34-20(28-13)15-6-10-17(11-7-15)33-23(24,25)26)19(29)27-12-14-4-8-16(9-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28712
PNG
(2-[4-({[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN2O4S/c1-13-18(30-20(25-13)15-6-8-16(23)9-7-15)19(26)24-12-14-4-10-17(11-5-14)29-22(2,3)21(27)28/h4-11H,12H2,1-3H3,(H,24,26)(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28713
PNG
(2-methyl-2-[4-({[4-methyl-2-(4-nitrophenyl)-1,3-th...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O6S/c1-13-18(32-20(24-13)15-6-8-16(9-7-15)25(29)30)19(26)23-12-14-4-10-17(11-5-14)31-22(2,3)21(27)28/h4-11H,12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28714
PNG
(2-[4-({[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5...)
Show SMILES COc1ccc(cc1)-c1nc(C)c(s1)C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C23H24N2O5S/c1-14-19(31-21(25-14)16-7-11-17(29-4)12-8-16)20(26)24-13-15-5-9-18(10-6-15)30-23(2,3)22(27)28/h5-12H,13H2,1-4H3,(H,24,26)(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28715
PNG
(2-[4-({[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN2O4S/c1-13-18(30-20(25-13)15-6-8-16(23)9-7-15)19(26)24-12-14-4-10-17(11-5-14)29-22(2,3)21(27)28/h4-11H,12H2,1-3H3,(H,24,26)(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28716
PNG
(2-methyl-2-(4-{[(4-methyl-2-phenyl-1,3-thiazol-5-y...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-18(29-20(24-14)16-7-5-4-6-8-16)19(25)23-13-15-9-11-17(12-10-15)28-22(2,3)21(26)27/h4-12H,13H2,1-3H3,(H,23,25)(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28717
PNG
(2-methyl-2-phenoxypropanoic acid, 25i | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-5-4-6-16(11-15)23(24,25)26)19(29)27-12-14-7-9-17(10-8-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a>2.50E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28718
PNG
(2-methyl-2-phenoxypropanoic acid, 25j | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)16-6-4-5-7-17(16)23(24,25)26)19(29)27-12-14-8-10-15(11-9-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a>2.50E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28719
PNG
(2-[4-({[2-(4-aminophenyl)-4-methyl-1,3-thiazol-5-y...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(N)cc1
Show InChI InChI=1S/C22H23N3O4S/c1-13-18(30-20(25-13)15-6-8-16(23)9-7-15)19(26)24-12-14-4-10-17(11-5-14)29-22(2,3)21(27)28/h4-11H,12,23H2,1-3H3,(H,24,26)(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28720
PNG
(2-methyl-2-phenoxypropanoic acid, 25l | 2-{4-[({2-...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(OS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H24N2O7S2/c1-14-19(33-21(25-14)16-7-11-18(12-8-16)32-34(4,29)30)20(26)24-13-15-5-9-17(10-6-15)31-23(2,3)22(27)28/h5-12H,13H2,1-4H3,(H,24,26)(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28721
PNG
(2-[4-({[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H22N2O5S/c1-13-18(30-20(24-13)15-6-8-16(25)9-7-15)19(26)23-12-14-4-10-17(11-5-14)29-22(2,3)21(27)28/h4-11,25H,12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28722
PNG
(2-methyl-2-phenoxypropanoic acid, 41 | 2-methyl-2-...)
Show SMILES Cc1sc(nc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(28-20(33-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28723
PNG
(2-methyl-2-[4-({[4-(trifluoromethyl)-2-[4-(trifluo...)
Show SMILES CC(C)(Oc1ccc(CNC(=O)c2sc(nc2C(F)(F)F)-c2ccc(cc2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C23H18F6N2O4S/c1-21(2,20(33)34)35-15-9-3-12(4-10-15)11-30-18(32)16-17(23(27,28)29)31-19(36-16)13-5-7-14(8-6-13)22(24,25)26/h3-10H,11H2,1-2H3,(H,30,32)(H,33,34)
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n/an/an/an/a 730n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
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