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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM222014'   
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))		BDBM222014
PNG
(N-((1-(2,3-dichlorobenzyl)-1H-1,2,3-triazol-5-yl)m...)
Show SMILES Clc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1Cl
Show InChI InChI=1S/C20H14Cl2N4O3/c21-16-6-3-5-13(18(16)22)11-26-14(10-24-25-26)9-23-19(27)15-8-12-4-1-2-7-17(12)29-20(15)28/h1-8,10H,9,11H2,(H,23,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.02E+4n/an/an/an/a8.025



Tehran University of Medical Sciences



Assay Description
In vitro anti-AChE activity was performed based on the modified Ellman's method [Ellman et al., Biochem. Pharmacol., 71:88-95]. For this purpose, syn...

Bioorg Chem 70: 86-93 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.011
BindingDB Entry DOI: 10.7270/Q2RR1X4C
More data for this
Ligand-Target Pair