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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Monomerid = 50163728   
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))
BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha


J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.02E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha receptor expressed in HEK293 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor alpha


J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair