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2 similar compounds to monomer 50004014

Compile data set for download or QSAR
Wt: 328.4
BDBM9402
Wt: 274.4
BDBM50004021

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 9402,50004021   
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))
BDBM9402
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCCCC1
Show InChI InChI=1S/C21H32N2O/c24-21(20-9-5-2-6-10-20)22-14-11-18-12-15-23(16-13-18)17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2,(H,22,24)
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n/an/a 1.60E+3n/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


(Mus musculus (mouse))
BDBM50004021
PNG
(CHEMBL125578 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C17H26N2O/c1-15(20)18(2)11-8-16-9-12-19(13-10-16)14-17-6-4-3-5-7-17/h3-7,16H,8-14H2,1-2H3
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n/an/a 660n/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))
BDBM50004021
PNG
(CHEMBL125578 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C17H26N2O/c1-15(20)18(2)11-8-16-9-12-19(13-10-16)14-17-6-4-3-5-7-17/h3-7,16H,8-14H2,1-2H3
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n/an/a 659n/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))
BDBM9402
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCCCC1
Show InChI InChI=1S/C21H32N2O/c24-21(20-9-5-2-6-10-20)22-14-11-18-12-15-23(16-13-18)17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2,(H,22,24)
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n/an/a 1.60E+3n/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))
BDBM50004021
PNG
(CHEMBL125578 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C17H26N2O/c1-15(20)18(2)11-8-16-9-12-19(13-10-16)14-17-6-4-3-5-7-17/h3-7,16H,8-14H2,1-2H3
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n/an/a 660n/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