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SMILES: CCN(CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1

InChI Key: InChIKey=HRQGWHKVUGNVNC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032400   
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))
BDBM50032400
PNG
(1-Benzyl-3-{2-[2-(cyclohexylmethyl-ethyl-amino)-et...)
Show SMILES CCN(CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C21H35N3O2/c1-2-24(18-20-11-7-4-8-12-20)14-16-26-15-13-22-21(25)23-17-19-9-5-3-6-10-19/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H2,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/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))
BDBM50032400
PNG
(1-Benzyl-3-{2-[2-(cyclohexylmethyl-ethyl-amino)-et...)
Show SMILES CCN(CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C21H35N3O2/c1-2-24(18-20-11-7-4-8-12-20)14-16-26-15-13-22-21(25)23-17-19-9-5-3-6-10-19/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H2,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/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