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BDBM50004034 CHEMBL141622::N-(2-(2-(1-benzylpiperidin-4-yl)ethyl)-1,3-dioxoisoindolin-4-yl)benzamide::N-{2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}-benzamide

SMILES: O=C(Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12)c1ccccc1

InChI Key: InChIKey=ZVWREYPHISEIQV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004034   
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))
BDBM50004034
PNG
(CHEMBL141622 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES O=C(Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33)
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MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/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))
BDBM50004034
PNG
(CHEMBL141622 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES O=C(Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 340n/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