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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 = 50169233   
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))
BDBM50169233
PNG
((S)-(4-Isopropyl-phenyl)-(3-methyl-2-oxo-5,7-dipro...)
Show SMILES CCCc1cc2n(C)c(=O)oc2c(CCC)c1O[C@H](C(O)=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-25(29)26(20)5)19(9-7-2)21(18)30-22(24(27)28)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,27,28)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 393n/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