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BDBM28799 2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenyl]sulfanyl}-2-methylpropanoic acid::CHEMBL278590::GW 9578::GW-9578::GW9578

SMILES: CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=KYQNYMXQHLMADB-UHFFFAOYSA-N

Data: 2 IC50  32 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 28799   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 78n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 6n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha


J Med Chem 55: 4027-61 (2012)


Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor gamma-Gal4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)


Article DOI: 10.1021/jm9903601
BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 5n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor transfected CV-1 ...


J Med Chem 42: 3785-8 (1999)


Article DOI: 10.1021/jm9903601
BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity on human Peroxisome proliferator activated receptor gamma-Gal4 chimeric receptor in transfected CV-1 cells


J Med Chem 42: 3785-8 (1999)


Article DOI: 10.1021/jm9903601
BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)


Article DOI: 10.1021/jm9903601
BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 50n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected CV-1 cells


J Med Chem 42: 3785-8 (1999)


Article DOI: 10.1021/jm9903601
BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 50n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR alpha receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 5n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR alpha receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.40E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain


Bioorg Med Chem Lett 11: 1225-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00188-3
BindingDB Entry DOI: 10.7270/Q2Z31XX0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain


Bioorg Med Chem Lett 11: 1225-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00188-3
BindingDB Entry DOI: 10.7270/Q2Z31XX0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain


Bioorg Med Chem Lett 11: 1225-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00188-3
BindingDB Entry DOI: 10.7270/Q2Z31XX0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/a 120n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Cotransfection activity of compound against human Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/a 550n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 340n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Cotransfection activity of compound against human Peroxisome proliferator activated receptor alpha was determined


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 250n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...


Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...


Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 250n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...


Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 10n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARgamma


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 100n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARgamma


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 450n/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha expressed in HEK293 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 6773-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.041
BindingDB Entry DOI: 10.7270/Q27945H6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 150n/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta expressed in HEK293 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 6773-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.041
BindingDB Entry DOI: 10.7270/Q27945H6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 166n/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


Bioorg Med Chem Lett 17: 6773-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.041
BindingDB Entry DOI: 10.7270/Q27945H6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 500n/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma expressed in HEK293 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 6773-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.041
BindingDB Entry DOI: 10.7270/Q27945H6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity on human Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV-1 cells


J Med Chem 42: 3785-8 (1999)


Article DOI: 10.1021/jm9903601
BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair