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SMILES: CN(CCOCCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1

InChI Key: InChIKey=GHQMZWFMHBZRED-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032387   
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))
BDBM50032387
PNG
(1-Benzoyl-3-{3-[2-(benzyl-methyl-amino)-ethoxy]-pr...)
Show SMILES CN(CCOCCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H27N3O2S/c1-24(17-18-9-4-2-5-10-18)14-16-26-15-8-13-22-21(27)23-20(25)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H2,22,23,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032387
PNG
(1-Benzoyl-3-{3-[2-(benzyl-methyl-amino)-ethoxy]-pr...)
Show SMILES CN(CCOCCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H27N3O2S/c1-24(17-18-9-4-2-5-10-18)14-16-26-15-8-13-22-21(27)23-20(25)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H2,22,23,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.10E+3n/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