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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50119805'   
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))
BDBM50119805
PNG
(1,12-di(2-isoquinoliniumyl)dodecane; with dibromid...)
Show SMILES C(CCCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31)2-4-6-8-14-22-32-24-20-28-16-10-12-18-30(28)26-32/h9-12,15-20,23-26H,1-8,13-14,21-22H2/q+2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.37E+5n/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 811-8 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.011
BindingDB Entry DOI: 10.7270/Q2PR7W8D
More data for this
Ligand-Target Pair