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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM91585'   
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
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91585
PNG
(Thiaindanone, 14)
Show SMILES NN=C1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12 |w:1.0|
Show InChI InChI=1S/C20H22Br2FN5OS/c21-19-17-14(9-15(26-24)18(17)20(22)30-19)25-16(29)11-28-7-5-27(6-8-28)10-12-3-1-2-4-13(12)23/h1-4,14H,5-11,24H2,(H,25,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair