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BDBM50004041 2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-nitroisoindoline-1,3-dione::2-{2-[1-(4-Chloro-benzyl)-piperidin-4-yl]-ethyl}-5-nitro-isoindole-1,3-dione::CHEMBL123909

SMILES: [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1

InChI Key: InChIKey=CLCFZEJHDXQFNI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50004041   
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))
BDBM50004041
PNG
(2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-ni...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2
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Article
PubMed
n/an/a 240n/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
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004041
PNG
(2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-ni...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004041
PNG
(2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-ni...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2
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PubMed
n/an/a 240n/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