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PubMed code 17608467

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
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 alpha


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28756
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethyl)phe...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)29-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28757
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethoxy)ph...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O5S/c1-12-10-15(8-9-16(12)31-20(2,3)19(27)28)29-11-17-25-18(26-32-17)13-4-6-14(7-5-13)30-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 850n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28749
PNG
(2-{2-methyl-4-[({3-[4-(trifluoromethyl)phenyl]-1,2...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15F3N2O3S2/c1-11-8-14(6-7-15(11)27-9-17(25)26)28-10-16-23-18(24-29-16)12-2-4-13(5-3-12)19(20,21)22/h2-8H,9-10H2,1H3,(H,25,26)
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n/an/an/an/a 10n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 1n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28751
PNG
(2-methyl-2-{2-methyl-4-[({3-[4-(trifluoromethoxy)p...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S2/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)31-11-17-25-18(26-32-17)13-4-6-14(7-5-13)29-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 33n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28750
PNG
(2-methyl-2-{2-methyl-4-[({3-[4-(trifluoromethyl)ph...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O3S2/c1-12-10-15(8-9-16(12)29-20(2,3)19(27)28)30-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 407n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28753
PNG
(2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C24H28N2O3S2/c1-15-13-18(11-12-19(15)29-24(5,6)22(27)28)30-14-20-25-21(26-31-20)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28756
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethyl)phe...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)29-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28754
PNG
(2-methyl-2-{2-methyl-4-[({5-[4-(trifluoromethyl)ph...)
Show SMILES Cc1cc(SCc2nsc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O3S2/c1-12-10-15(8-9-16(12)29-20(2,3)19(27)28)30-11-17-25-18(31-26-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 425n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28749
PNG
(2-{2-methyl-4-[({3-[4-(trifluoromethyl)phenyl]-1,2...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15F3N2O3S2/c1-11-8-14(6-7-15(11)27-9-17(25)26)28-10-16-23-18(24-29-16)12-2-4-13(5-3-12)19(20,21)22/h2-8H,9-10H2,1H3,(H,25,26)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28755
PNG
(2-methyl-2-{2-methyl-4-[({5-[4-(trifluoromethoxy)p...)
Show SMILES Cc1cc(SCc2nsc(n2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S2/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)31-11-17-25-18(32-26-17)13-4-6-14(7-5-13)29-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28755
PNG
(2-methyl-2-{2-methyl-4-[({5-[4-(trifluoromethoxy)p...)
Show SMILES Cc1cc(SCc2nsc(n2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S2/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)31-11-17-25-18(32-26-17)13-4-6-14(7-5-13)29-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 58n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28757
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethoxy)ph...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O5S/c1-12-10-15(8-9-16(12)31-20(2,3)19(27)28)29-11-17-25-18(26-32-17)13-4-6-14(7-5-13)30-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 12n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28754
PNG
(2-methyl-2-{2-methyl-4-[({5-[4-(trifluoromethyl)ph...)
Show SMILES Cc1cc(SCc2nsc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O3S2/c1-12-10-15(8-9-16(12)29-20(2,3)19(27)28)30-11-17-25-18(31-26-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28751
PNG
(2-methyl-2-{2-methyl-4-[({3-[4-(trifluoromethoxy)p...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S2/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)31-11-17-25-18(26-32-17)13-4-6-14(7-5-13)29-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28755
PNG
(2-methyl-2-{2-methyl-4-[({5-[4-(trifluoromethoxy)p...)
Show SMILES Cc1cc(SCc2nsc(n2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S2/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)31-11-17-25-18(32-26-17)13-4-6-14(7-5-13)29-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 656n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28757
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethoxy)ph...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O5S/c1-12-10-15(8-9-16(12)31-20(2,3)19(27)28)29-11-17-25-18(26-32-17)13-4-6-14(7-5-13)30-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 94n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28758
PNG
(1-{2-methyl-4-[({3-[4-(trifluoromethoxy)phenyl]-1,...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC1(CCCC1)C(O)=O
Show InChI InChI=1S/C23H21F3N2O4S2/c1-14-12-17(8-9-18(14)32-22(21(29)30)10-2-3-11-22)33-13-19-27-20(28-34-19)15-4-6-16(7-5-15)31-23(24,25)26/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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n/an/an/an/a 736n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28758
PNG
(1-{2-methyl-4-[({3-[4-(trifluoromethoxy)phenyl]-1,...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC1(CCCC1)C(O)=O
Show InChI InChI=1S/C23H21F3N2O4S2/c1-14-12-17(8-9-18(14)32-22(21(29)30)10-2-3-11-22)33-13-19-27-20(28-34-19)15-4-6-16(7-5-15)31-23(24,25)26/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28752
PNG
(2-[4-({[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]m...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(Cl)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C20H19ClN2O3S2/c1-12-10-15(8-9-16(12)26-20(2,3)19(24)25)27-11-17-22-18(23-28-17)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,24,25)
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n/an/an/an/a 18n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28753
PNG
(2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C24H28N2O3S2/c1-15-13-18(11-12-19(15)29-24(5,6)22(27)28)30-14-20-25-21(26-31-20)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,27,28)
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n/an/an/an/a 93n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28750
PNG
(2-methyl-2-{2-methyl-4-[({3-[4-(trifluoromethyl)ph...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O3S2/c1-12-10-15(8-9-16(12)29-20(2,3)19(27)28)30-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 79n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28756
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethyl)phe...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)29-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 94n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28751
PNG
(2-methyl-2-{2-methyl-4-[({3-[4-(trifluoromethoxy)p...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S2/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)31-11-17-25-18(26-32-17)13-4-6-14(7-5-13)29-21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28754
PNG
(2-methyl-2-{2-methyl-4-[({5-[4-(trifluoromethyl)ph...)
Show SMILES Cc1cc(SCc2nsc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O3S2/c1-12-10-15(8-9-16(12)29-20(2,3)19(27)28)30-11-17-25-18(31-26-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 26n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28752
PNG
(2-[4-({[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]m...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(Cl)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C20H19ClN2O3S2/c1-12-10-15(8-9-16(12)26-20(2,3)19(24)25)27-11-17-22-18(23-28-17)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,24,25)
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n/an/an/an/a 186n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28750
PNG
(2-methyl-2-{2-methyl-4-[({3-[4-(trifluoromethyl)ph...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O3S2/c1-12-10-15(8-9-16(12)29-20(2,3)19(27)28)30-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 6n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28758
PNG
(1-{2-methyl-4-[({3-[4-(trifluoromethoxy)phenyl]-1,...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC1(CCCC1)C(O)=O
Show InChI InChI=1S/C23H21F3N2O4S2/c1-14-12-17(8-9-18(14)32-22(21(29)30)10-2-3-11-22)33-13-19-27-20(28-34-19)15-4-6-16(7-5-15)31-23(24,25)26/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28749
PNG
(2-{2-methyl-4-[({3-[4-(trifluoromethyl)phenyl]-1,2...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15F3N2O3S2/c1-11-8-14(6-7-15(11)27-9-17(25)26)28-10-16-23-18(24-29-16)12-2-4-13(5-3-12)19(20,21)22/h2-8H,9-10H2,1H3,(H,25,26)
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n/an/an/an/a 468n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28753
PNG
(2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C24H28N2O3S2/c1-15-13-18(11-12-19(15)29-24(5,6)22(27)28)30-14-20-25-21(26-31-20)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,27,28)
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n/an/an/an/a 64n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28752
PNG
(2-[4-({[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]m...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(Cl)cc2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C20H19ClN2O3S2/c1-12-10-15(8-9-16(12)26-20(2,3)19(24)25)27-11-17-22-18(23-28-17)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,24,25)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%