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BDBM50213715 2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)methyl)butylthio)phenoxy)acetic acid::CHEMBL230063

SMILES: CCC(COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1

InChI Key: InChIKey=KSCZMOSACZKJJW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50213715   
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 delta


(Homo sapiens (Human))
BDBM50213715
PNG
(2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)meth...)
Show SMILES CCC(COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1 |w:2.15|
Show InChI InChI=1S/C21H23F3O4S/c1-3-15(11-27-17-6-4-16(5-7-17)21(22,23)24)13-29-18-8-9-19(14(2)10-18)28-12-20(25)26/h4-10,15H,3,11-13H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0600n/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))
BDBM50213715
PNG
(2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)meth...)
Show SMILES CCC(COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1 |w:2.15|
Show InChI InChI=1S/C21H23F3O4S/c1-3-15(11-27-17-6-4-16(5-7-17)21(22,23)24)13-29-18-8-9-19(14(2)10-18)28-12-20(25)26/h4-10,15H,3,11-13H2,1-2H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50213715
PNG
(2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)meth...)
Show SMILES CCC(COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1 |w:2.15|
Show InChI InChI=1S/C21H23F3O4S/c1-3-15(11-27-17-6-4-16(5-7-17)21(22,23)24)13-29-18-8-9-19(14(2)10-18)28-12-20(25)26/h4-10,15H,3,11-13H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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 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