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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 Monomerid = 50176631   
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))
BDBM50176631
PNG
(2-(5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2,3-...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1/C25H27NO4/c1-3-20(25(27)28)22-11-9-18-15-19(10-12-21(18)22)29-14-13-23-16(2)30-24(26-23)17-7-5-4-6-8-17/h4-8,10,12,15,20,22H,3,9,11,13-14H2,1-2H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 130n/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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50176631
PNG
(2-(5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2,3-...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1/C25H27NO4/c1-3-20(25(27)28)22-11-9-18-15-19(10-12-21(18)22)29-14-13-23-16(2)30-24(26-23)17-7-5-4-6-8-17/h4-8,10,12,15,20,22H,3,9,11,13-14H2,1-2H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 141n/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