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BDBM50179815 (S)-2-methyl-2-((4-(3-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yloxy)propoxy)phenyl)methyl)butanoic acid::CHEMBL206285

SMILES: CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C)cc(=O)[nH]c3c2)cc1)C(O)=O

InChI Key: InChIKey=VWOYBFSENDRFBQ-VWLOTQADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179815   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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
UniProtKB/TrEMBL

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