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BDBM50176606 2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoyl)-4-methoxybenzyl)butanoic acid::CHEMBL201803

SMILES: CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F)C(O)=O

InChI Key: InChIKey=JLGDOBIVWHHFDE-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 = 50176606   
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


(Homo sapiens (Human))
BDBM50176606
PNG
(2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-14(20(28)29)8-12-5-7-18(30-2)15(9-12)19(27)26-11-13-4-6-16(17(22)10-13)21(23,24)25/h4-7,9-10,14H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50176606
PNG
(2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-14(20(28)29)8-12-5-7-18(30-2)15(9-12)19(27)26-11-13-4-6-16(17(22)10-13)21(23,24)25/h4-7,9-10,14H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 500n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176606
PNG
(2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-14(20(28)29)8-12-5-7-18(30-2)15(9-12)19(27)26-11-13-4-6-16(17(22)10-13)21(23,24)25/h4-7,9-10,14H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair