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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 = 50195079   
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))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
340n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair