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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.4
BDBM50511206

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))
BDBM50511206
PNG
(CHEMBL4467075)
Show SMILES CC(C)(Oc1ccc(CNc2cccc(c2)C(O)=O)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22FNO3/c1-23(2,18-8-10-19(24)11-9-18)28-21-12-6-16(7-13-21)15-25-20-5-3-4-17(14-20)22(26)27/h3-14,25H,15H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.52E+3n/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 ...


J Med Chem 63: 2854-2876 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01189
BindingDB Entry DOI: 10.7270/Q2H998HT
More data for this
Ligand-Target Pair