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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 = 'BDBM50109159'   
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))
BDBM50109159
PNG
(CHEMBL3600934)
Show SMILES O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1
Show InChI InChI=1S/C32H29N3O4/c36-30(33-20-24-10-5-2-6-11-24)26-14-16-28(17-15-26)34-31(37)27-13-7-12-25(18-27)21-35-29(22-39-32(35)38)19-23-8-3-1-4-9-23/h1-18,29H,19-22H2,(H,33,36)(H,34,37)/t29-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


J Med Chem 58: 6639-52 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00849
BindingDB Entry DOI: 10.7270/Q29025KV
More data for this
Ligand-Target Pair