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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50361352'   
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))
BDBM50361352
PNG
(CHEMBL1933826)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H29Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h8-9,12-13,15,19H,3-7,10-11,14H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair