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BDBM9408 (2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide::CHEMBL544629::CHEMBL55312::N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-N-phenyl-benzamide (C4H4O4)::N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide Fumarate::Piperidine Derivative 20

SMILES: O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=RSMDWTVKHVTHAL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 9408   
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))
BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
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MMDB

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n/an/a 35.0n/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


(Mus musculus (mouse))
BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
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n/an/a 35n/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))
BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
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n/an/a 35n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
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n/an/a 35n/an/an/an/an/an/a



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
PDB
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n/an/a 35n/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