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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50111779'   
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))		BDBM50111779
PNG
(CHEMBL3605364)
Show SMILES [I-].[I-].OCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCO)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C29H52N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-31-19-23(41-28-26(37)25(36)22(18-30)40-28)21-17-20(34)27(39-21)33-16-14-24(35)32-29(33)38/h14,16,20-23,25-28,31,34,36-37H,2-13,15,17-19,30H2,1H3,(H,32,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay

J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair