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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 Ligand = 'BDBM50179815'   
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


(Homo sapiens (Human))		BDBM50179815
PNG
((S)-2-methyl-2-((4-(3-(4-methyl-2-oxo-1,2-dihydroq...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C)cc(=O)[nH]c3c2)cc1)C(O)=O
Show InChI InChI=1S/C25H29NO5/c1-4-25(3,24(28)29)16-18-6-8-19(9-7-18)30-12-5-13-31-20-10-11-21-17(2)14-23(27)26-22(21)15-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,26,27)(H,28,29)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.09E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha

Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair