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SMILES: CN(CCOCCNC(=S)NC(=O)c1ccc2C(=O)c3ccccc3-c2c1)Cc1ccccc1

InChI Key: InChIKey=XSNGHMYVAVSAGU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50032394   
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


(Rattus norvegicus (rat))		BDBM50032394
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9-...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2C(=O)c3ccccc3-c2c1)Cc1ccccc1
Show InChI InChI=1S/C27H27N3O3S/c1-30(18-19-7-3-2-4-8-19)14-16-33-15-13-28-27(34)29-26(32)20-11-12-23-24(17-20)21-9-5-6-10-22(21)25(23)31/h2-12,17H,13-16,18H2,1H3,(H2,28,29,32,34)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 30n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase

J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair