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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50111777'   
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))		BDBM50111777
PNG
(CHEMBL3605362)
Show SMILES [I-].[I-].COc1ccc2n(CCCCCCCCCn3c4ccc(OC)cc4c4c[n+](C)ccc34)c3cc[n+](C)cc3c2c1
Show InChI InChI=1S/C28H39N5O9/c29-13-20-23(36)24(37)26(41-20)42-21(19-12-18(34)25(40-19)33-11-10-22(35)32-28(33)39)14-30-27(38)31-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-26,34,36-37H,1-5,12-14,29H2,(H2,30,31,38)(H,32,35,39)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.10n/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