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BDBM50004002 CHEMBL340609::N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-(4-fluorophenyl)acetamide::N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-N-(4-fluoro-phenyl)-acetamide

SMILES: CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=TXBYPGKNXQTWRM-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50004002   
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))
BDBM50004002
PNG
(CHEMBL340609 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2O/c1-18(26)25(22-9-7-21(23)8-10-22)16-13-19-11-14-24(15-12-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 205n/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))
BDBM50004002
PNG
(CHEMBL340609 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2O/c1-18(26)25(22-9-7-21(23)8-10-22)16-13-19-11-14-24(15-12-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3
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Article
PubMed
n/an/a 205n/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))
BDBM50004002
PNG
(CHEMBL340609 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2O/c1-18(26)25(22-9-7-21(23)8-10-22)16-13-19-11-14-24(15-12-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3
PDB
MMDB

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PubMed
n/an/a 205n/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