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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.3
BDBM50131754

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50131754
PNG
(2-[4-Methoxy-3-(4-trifluoromethyl-phenylcarbamoyl)...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)Nc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3NO4/c1-3-13(19(26)27)10-12-4-9-17(28-2)16(11-12)18(25)24-15-7-5-14(6-8-15)20(21,22)23/h4-9,11,13H,3,10H2,1-2H3,(H,24,25)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.00E+3n/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected...


J Med Chem 46: 3581-99 (2003)


Article DOI: 10.1021/jm0205144
BindingDB Entry DOI: 10.7270/Q2R78DMX
More data for this
Ligand-Target Pair