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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 = 'BDBM50013740'   
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))
BDBM50013740
PNG
(CHEMBL3264930)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C36H40N4O3S/c1-5-39-34(37-40(35(39)41)26-28-19-23-31(24-20-28)36(2,3)4)16-9-11-27-17-21-29(22-18-27)30-12-10-13-32(25-30)38-44(42,43)33-14-7-6-8-15-33/h6-8,10,12-15,17-25,38H,5,9,11,16,26H2,1-4H3
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Article
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n/an/a 386n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair