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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 (PPAR alpha)' and Ligand = 'BDBM50382330'   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50382330
PNG
(CHEMBL2022406)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(NC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C29H26Cl3N3O4/c1-5-38-28(37)29(3,4)39-22-13-11-21(12-14-22)33-27(36)25-17(2)26(18-6-8-19(30)9-7-18)35(34-25)24-15-10-20(31)16-23(24)32/h6-16H,5H2,1-4H3,(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.48E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay


ACS Med Chem Lett 2: 793-797 (2011)


Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1
More data for this
Ligand-Target Pair