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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.4
BDBM50511196

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))
BDBM50511196
PNG
(CHEMBL4561177)
Show SMILES Cc1cc(CNc2cccc(OC(C)(C)C(O)=O)c2)ccc1OCc1ccc(F)cc1
Show InChI InChI=1S/C25H26FNO4/c1-17-13-19(9-12-23(17)30-16-18-7-10-20(26)11-8-18)15-27-21-5-4-6-22(14-21)31-25(2,3)24(28)29/h4-14,27H,15-16H2,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 740n/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