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SMILES: COCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1

InChI Key: InChIKey=NVUGDYFHDGXOKY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154768   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50154768
PNG
(4-[3-(5,6-Dimethoxy-2,3-dihydro-benzo[b]thiophen-2...)
Show SMILES COCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1
Show InChI InChI=1S/C21H26NO4S/c1-24-11-10-22-8-6-15(7-9-22)4-5-17(23)21-13-16-12-18(25-2)19(26-3)14-20(16)27-21/h6-9,12,14,21H,4-5,10-11,13H2,1-3H3/q+1
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay

J Med Chem 47: 5492-500 (2004)


Article DOI: 10.1021/jm049695v
BindingDB Entry DOI: 10.7270/Q2765G3W
More data for this
Ligand-Target Pair