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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 = 'BDBM50013736'   
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))
BDBM50013736
PNG
(CHEMBL3264926)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C31H42N4O5S/c1-7-34-27(32-35(29(34)37)21-23-11-15-24(16-12-23)30(2,3)4)10-8-9-22-13-17-25(18-14-22)40-31(5,6)28(36)33-41(38,39)26-19-20-26/h11-18,26H,7-10,19-21H2,1-6H3,(H,33,36)
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PC sid
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Similars

Article
PubMed
n/an/a 6.60n/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