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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50176630'   
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))
BDBM50176630
PNG
(2-(5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2,3-...)
Show SMILES CC(C1CCc2cc(OCCc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C24H25NO4/c1-15(24(26)27)20-10-8-18-14-19(9-11-21(18)20)28-13-12-22-16(2)29-23(25-22)17-6-4-3-5-7-17/h3-7,9,11,14-15,20H,8,10,12-13H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 4369-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.057
BindingDB Entry DOI: 10.7270/Q2GX4B8H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50176630
PNG
(2-(5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2,3-...)
Show SMILES CC(C1CCc2cc(OCCc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C24H25NO4/c1-15(24(26)27)20-10-8-18-14-19(9-11-21(18)20)28-13-12-22-16(2)29-23(25-22)17-6-4-3-5-7-17/h3-7,9,11,14-15,20H,8,10,12-13H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR alpha in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair