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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50232218'   
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


(Homo sapiens (Human))
BDBM50232218
PNG
(CHEMBL4065799)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCN(C)C
Show InChI InChI=1S/C21H26N2O3/c1-23(2)14-7-15-26-19-12-10-17(16-20(19)25-3)11-13-21(24)22-18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,22,24)/b13-11+
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MMDB

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Similars

Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
BindingDB Entry DOI: 10.7270/Q2HH6N9M
More data for this
Ligand-Target Pair