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BDBM50004015 4-Amino-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-isoindole-1,3-dione::4-amino-2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3-dione::CHEMBL138442

SMILES: Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12

InChI Key: InChIKey=VQMSAQJYFHAVFV-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004015   
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))
BDBM50004015
PNG
(4-Amino-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-isoi...)
Show SMILES Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C22H25N3O2/c23-19-8-4-7-18-20(19)22(27)25(21(18)26)14-11-16-9-12-24(13-10-16)15-17-5-2-1-3-6-17/h1-8,16H,9-15,23H2
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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


(Mus musculus (mouse))
BDBM50004015
PNG
(4-Amino-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-isoi...)
Show SMILES Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C22H25N3O2/c23-19-8-4-7-18-20(19)22(27)25(21(18)26)14-11-16-9-12-24(13-10-16)15-17-5-2-1-3-6-17/h1-8,16H,9-15,23H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair