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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50384971'   
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))
BDBM50384971
PNG
(CHEMBL2035069)
Show SMILES CCCC(Sc1ccc(OCC(O)=O)c(C)c1)c1sc(nc1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3NO3S2/c1-4-5-20(32-18-10-11-19(14(2)12-18)31-13-21(29)30)22-15(3)28-23(33-22)16-6-8-17(9-7-16)24(25,26)27/h6-12,20H,4-5,13H2,1-3H3,(H,29,30)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Transactivation activity at human PPARalpha expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 53: 190-202 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.055
BindingDB Entry DOI: 10.7270/Q2JW8FX2
More data for this
Ligand-Target Pair