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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50317191'   
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))		BDBM50317191
PNG
(2-[2-(2-{2-[2-(beta-Carboline-2-ium-2-yl)ethoxy]et...)
Show SMILES C(COCC[n+]1ccc2c(c1)[nH]c1ccccc21)OCCOCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C30H30N4O3/c1-3-7-27-23(5-1)25-9-11-33(21-29(25)31-27)13-15-35-17-19-37-20-18-36-16-14-34-12-10-26-24-6-2-4-8-28(24)32-30(26)22-34/h1-12,21-22H,13-20H2/p+2
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.14E+3n/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