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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cholinesterases' and Ligand = 'BDBM50039713'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterases


(Homo sapiens (Human))
BDBM50039713
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo...)
Show SMILES COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
Show InChI InChI=1S/C22H26N2O2/c1-25-21-9-5-8-19-20(23-26-22(19)21)11-10-17-12-14-24(15-13-17)16-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3
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Article
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n/an/a 7.08n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro (UFRJ)

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase


Eur J Med Chem 46: 39-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.009
BindingDB Entry DOI: 10.7270/Q2SX6FG0
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50039713
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo...)
Show SMILES COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
Show InChI InChI=1S/C22H26N2O2/c1-25-21-9-5-8-19-20(23-26-22(19)21)11-10-17-12-14-24(15-13-17)16-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3
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Article
PubMed
n/an/a 7.10n/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
Cholinesterases


(Homo sapiens (Human))
BDBM50039713
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo...)
Show SMILES COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
Show InChI InChI=1S/C22H26N2O2/c1-25-21-9-5-8-19-20(23-26-22(19)21)11-10-17-12-14-24(15-13-17)16-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3
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n/an/a 7.10n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay


J Med Chem 47: 5492-500 (2004)


Article DOI: 10.1021/jm049695v
BindingDB Entry DOI: 10.7270/Q2765G3W
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50039713
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo...)
Show SMILES COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
Show InChI InChI=1S/C22H26N2O2/c1-25-21-9-5-8-19-20(23-26-22(19)21)11-10-17-12-14-24(15-13-17)16-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes


J Med Chem 37: 2721-34 (1994)


Article DOI: 10.1021/jm00043a012
BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50039713
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo...)
Show SMILES COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
Show InChI InChI=1S/C22H26N2O2/c1-25-21-9-5-8-19-20(23-26-22(19)21)11-10-17-12-14-24(15-13-17)16-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3
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Article
PubMed
n/an/a 7.10n/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