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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50317182'   
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))
BDBM50317182
PNG
(2-[12-(beta-Carboline-2-ium-2-yl)dodecyl]-beta-car...)
Show SMILES C(CCCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C34H38N4/c1(3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37)2-4-6-8-14-22-38-24-20-30-28-16-10-12-18-32(28)36-34(30)26-38/h9-12,15-20,23-26H,1-8,13-14,21-22H2/p+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair