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BDBM50214201 2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-methyl]phenylmethyl}hexanoic aci::CHEMBL390116

SMILES: CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O

InChI Key: InChIKey=YKLQIFXBHVFFQC-UHFFFAOYSA-N

Data: 3 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50214201   
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))
BDBM50214201
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-15-6-11-20(31-2)18(13-15)14-27-21(28)16-7-9-19(10-8-16)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)
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 2.40E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARgamma transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214201
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-15-6-11-20(31-2)18(13-15)14-27-21(28)16-7-9-19(10-8-16)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 700n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50214201
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-15-6-11-20(31-2)18(13-15)14-27-21(28)16-7-9-19(10-8-16)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 230n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARalpha transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair