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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 645.7
BDBM649649

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))
BDBM649649
PNG
(US20240041837, Example 23)
Show SMILES CCn1c(CCC(F)(F)c2cccc(c2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 659n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair