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BDBM50213714 (R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid::CHEMBL230158

SMILES: CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1

InChI Key: InChIKey=JWHYSEDOYMYMNM-QGZVFWFLSA-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 = 50213714   
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))
BDBM50213714
PNG
((R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)p...)
Show SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
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PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at human PPARalpha receptor by cell based transactivation assay


Bioorg Med Chem Lett 17: 3855-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.007
BindingDB Entry DOI: 10.7270/Q28W3D05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50213714
PNG
((R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)p...)
Show SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
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Article
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n/an/an/an/a 1.90n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta receptor by cell based transactivation assay


Bioorg Med Chem Lett 17: 3855-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.007
BindingDB Entry DOI: 10.7270/Q28W3D05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50213714
PNG
((R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)p...)
Show SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
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PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma (unknown origin)


J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50213714
PNG
((R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)p...)
Show SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin)


J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50213714
PNG
((R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)p...)
Show SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
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Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta (unknown origin)


J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50213714
PNG
((R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)p...)
Show SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
PDB
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KEGG

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Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at human PPARgamma receptor by cell based transactivation assay


Bioorg Med Chem Lett 17: 3855-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.007
BindingDB Entry DOI: 10.7270/Q28W3D05
More data for this
Ligand-Target Pair