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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 Ligand = 'BDBM50229219'   
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


(Homo sapiens (Human))
BDBM50229219
PNG
(4'-chloro-biphenyl-4-carboxylic acid 4-trifluorome...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H16ClF3N2O3S/c22-18-9-7-16(8-10-18)15-3-5-17(6-4-15)20(28)26-13-14-1-11-19(12-2-14)27-31(29,30)21(23,24)25/h1-12,27H,13H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50229219
PNG
(4'-chloro-biphenyl-4-carboxylic acid 4-trifluorome...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H16ClF3N2O3S/c22-18-9-7-16(8-10-18)15-3-5-17(6-4-15)20(28)26-13-14-1-11-19(12-2-14)27-31(29,30)21(23,24)25/h1-12,27H,13H2,(H,26,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair