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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50114368'   
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


(Electrophorus electricus (Electric eel))
BDBM50114368
PNG
(CHEMBL3604199)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)


BindingDB Entry DOI: 10.7270/Q25T3N9G
More data for this
Ligand-Target Pair