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BDBM50029943 2-[4-(1-Benzyl-piperidin-4-yl)-butyl]-5,6-dimethoxy-indan-1-one::CHEMBL142838

SMILES: COc1cc2CC(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=NJXCWOPVWKZAJJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029943   
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


(Mus musculus (mouse))
BDBM50029943
PNG
(2-[4-(1-Benzyl-piperidin-4-yl)-butyl]-5,6-dimethox...)
Show SMILES COc1cc2CC(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H35NO3/c1-30-25-17-23-16-22(27(29)24(23)18-26(25)31-2)11-7-6-8-20-12-14-28(15-13-20)19-21-9-4-3-5-10-21/h3-5,9-10,17-18,20,22H,6-8,11-16,19H2,1-2H3
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Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair