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BDBM50081222 2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ureido]-ethyl}-phenoxy)-2-methyl-propionic acid::CHEMBL124079

SMILES: CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O

InChI Key: InChIKey=KFQNDBBADLHQCZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50081222   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,29,33)(H,31,32)
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n/an/an/an/a 120n/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)


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


(Mus musculus)
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(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 its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)


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


(Homo sapiens (Human))
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(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 alpha-Gal4 chimeric receptor in transfected CV-1 cells


J Med Chem 42: 3785-8 (1999)


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


(Homo sapiens (Human))
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,29,33)(H,31,32)
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n/an/an/an/a 6n/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)


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


(Homo sapiens (Human))
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,29,33)(H,31,32)
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n/an/an/an/a 790n/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)


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


(Mus musculus)
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,29,33)(H,31,32)
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n/an/an/an/a 12n/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)


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