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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.5
BDBM412348

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 delta


(Homo sapiens (Human))
BDBM412348
PNG
(US10399958, Compound 2m)
Show SMILES CC(CCCOc1ccc(C)cc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O
Show InChI InChI=1S/C26H29F3N2O4/c1-17(14-24(32)33)5-4-12-34-23-11-6-18(2)13-21(23)16-31-19(3)15-30-25(31)20-7-9-22(10-8-20)35-26(27,28)29/h6-11,13,15,17H,4-5,12,14,16H2,1-3H3,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/an/an/a 0.5n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair