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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 = 50194974   
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))
BDBM50194974
PNG
(2-((6-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(C)cc1
Show InChI InChI=1/C24H26N2O5/c1-16-4-7-19(8-5-16)22-26-20(17(2)31-22)10-13-29-21-9-6-18(15-25-21)14-24(23(27)28)11-3-12-30-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50194974
PNG
(2-((6-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(C)cc1
Show InChI InChI=1/C24H26N2O5/c1-16-4-7-19(8-5-16)22-26-20(17(2)31-22)10-13-29-21-9-6-18(15-25-21)14-24(23(27)28)11-3-12-30-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair