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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50353685'   
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))		BDBM50353685
PNG
(CHEMBL1830626)
Show SMILES O=C(CNCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C33H29N5O2/c39-29(19-34-16-17-36-31-23-7-1-3-10-27(23)38-28-11-4-2-8-24(28)31)37-21-12-13-22-26(18-21)33(40)25-9-5-6-20-14-15-35-32(22)30(20)25/h1,3,5-7,9-10,12-15,18,34H,2,4,8,11,16-17,19H2,(H,36,38)(H,37,39)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 41n/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