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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 Monomerid = 50169242   
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))
BDBM50169242
PNG
((S)-(2-Cyclohexyl-3-oxo-5,7-dipropyl-2,3-dihydro-b...)
Show SMILES CCCc1cc2c(on(C3CCCCC3)c2=O)c(CCC)c1O[C@H](C(O)=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C30H39NO5/c1-5-10-22-18-25-28(36-31(29(25)32)23-12-8-7-9-13-23)24(11-6-2)26(22)35-27(30(33)34)21-16-14-20(15-17-21)19(3)4/h14-19,23,27H,5-13H2,1-4H3,(H,33,34)/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR alpha


J Med Chem 48: 4457-68 (2005)


Article DOI: 10.1021/jm0502135
BindingDB Entry DOI: 10.7270/Q2MG7P1D
More data for this
Ligand-Target Pair