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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 = 'BDBM50107543'   
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))
BDBM50107543
PNG
(4-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3NO4/c1-28-17-10-7-13(3-2-4-18(25)26)11-16(17)19(27)24-12-14-5-8-15(9-6-14)20(21,22)23/h5-11H,2-4,12H2,1H3,(H,24,27)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected...


J Med Chem 46: 3581-99 (2003)


Article DOI: 10.1021/jm0205144
BindingDB Entry DOI: 10.7270/Q2R78DMX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50107543
PNG
(4-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3NO4/c1-28-17-10-7-13(3-2-4-18(25)26)11-16(17)19(27)24-12-14-5-8-15(9-6-14)20(21,22)23/h5-11H,2-4,12H2,1H3,(H,24,27)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells


Bioorg Med Chem Lett 12: 77-80 (2001)


BindingDB Entry DOI: 10.7270/Q20P0Z94
More data for this
Ligand-Target Pair