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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50353681'   
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))		BDBM50353681
PNG
(CHEMBL1830631)
Show SMILES O=C(CCNCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C35H33N5O2/c41-31(39-23-13-14-24-28(21-23)35(42)27-10-6-7-22-15-18-37-34(24)32(22)27)16-17-36-19-20-38-33-25-8-2-1-3-11-29(25)40-30-12-5-4-9-26(30)33/h4-7,9-10,12-15,18,21,36H,1-3,8,11,16-17,19-20H2,(H,38,40)(H,39,41)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 51.7n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method

Eur J Med Chem 46: 4970-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.002
BindingDB Entry DOI: 10.7270/Q20C4W5X
More data for this
Ligand-Target Pair