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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.2
BDBM50521953

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50521953
PNG
(CHEMBL4555785)
Show SMILES CCc1cc(C(O)=O)c2c(nn(-c3ccc(Br)cc3)c2n1)C(C)C
Show InChI InChI=1S/C18H18BrN3O2/c1-4-12-9-14(18(23)24)15-16(10(2)3)21-22(17(15)20-12)13-7-5-11(19)6-8-13/h5-10H,4H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.23E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay


Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair