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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50165322'   
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))		BDBM50165322
PNG
(CHEMBL3797706)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C25H26N2O5/c1-30-21-12-11-16(13-22(21)31-2)14-24(29)32-15-23(28)27-25-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)25/h3,5,7,9,11-13H,4,6,8,10,14-15H2,1-2H3,(H,26,27,28)
UniProtKB/SwissProt

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PC sid
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Similars
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair