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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50402581'   
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))		BDBM50402581
PNG
(CHEMBL2206125)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(C)cc4)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-8-20(9-7-18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-21-4-3-5-24(30-2)25(21)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.65E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair