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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 = 50314824   
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))
BDBM50314824
PNG
(2-((3-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxaz...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N2O6/c1-18-6-12-23(13-7-18)40-28(37)34(16-26(35)36)15-20-4-3-5-24(14-20)38-17-25-19(2)39-27(33-25)21-8-10-22(11-9-21)29(30,31)32/h3-14H,15-17H2,1-2H3,(H,35,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 569n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50314824
PNG
(2-((3-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxaz...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N2O6/c1-18-6-12-23(13-7-18)40-28(37)34(16-26(35)36)15-20-4-3-5-24(14-20)38-17-25-19(2)39-27(33-25)21-8-10-22(11-9-21)29(30,31)32/h3-14H,15-17H2,1-2H3,(H,35,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha LBD (167-468) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair