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BDBM50004003 2-(2-(1-benzylpiperidin-4-yl)ethyl)-3,4-dihydroisoquinolin-1(2H)-one::2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3,4-dihydro-2H-isoquinolin-1-one::CHEMBL142014

SMILES: O=C1N(CCC2CCN(Cc3ccccc3)CC2)CCc2ccccc12

InChI Key: InChIKey=BVQFUYUEQBLTCJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004003   
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))
BDBM50004003
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-3,4-dihydroiso...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
Show InChI InChI=1S/C23H28N2O/c26-23-22-9-5-4-8-21(22)13-17-25(23)16-12-19-10-14-24(15-11-19)18-20-6-2-1-3-7-20/h1-9,19H,10-18H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.00E+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


(Mus musculus (mouse))
BDBM50004003
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-3,4-dihydroiso...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
Show InChI InChI=1S/C23H28N2O/c26-23-22-9-5-4-8-21(22)13-17-25(23)16-12-19-10-14-24(15-11-19)18-20-6-2-1-3-7-20/h1-9,19H,10-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/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