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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/delta/gamma' and Ligand = 'BDBM50484848'   
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/delta/gamma


(Homo sapiens (Human))
BDBM50484848
PNG
(CHEMBL1956027)
Show SMILES COc1ccc2cc(CCC(=O)CC(Nc3ccc(cc3)S(N)(=O)=O)c3ccc(Cl)cc3)ccc2c1
Show InChI InChI=1S/C28H27ClN2O4S/c1-35-26-13-7-21-16-19(2-4-22(21)17-26)3-12-25(32)18-28(20-5-8-23(29)9-6-20)31-24-10-14-27(15-11-24)36(30,33)34/h2,4-11,13-17,28,31H,3,12,18H2,1H3,(H2,30,33,34)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.28E+4n/an/an/an/a



Southwest University

Curated by ChEMBL


Assay Description
Activation of PPAR in human HepG2 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 20: 2119-30 (2012)


Article DOI: 10.1016/j.bmc.2012.01.028
BindingDB Entry DOI: 10.7270/Q26H4M86
More data for this
Ligand-Target Pair