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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cholinesterases' and Ligand = 'BDBM50039733'   
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))
BDBM50039733
PNG
(1-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline | ...)
Show SMILES C(Cc1nccc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2
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n/an/a 219n/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))
BDBM50039733
PNG
(1-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline | ...)
Show SMILES C(Cc1nccc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2
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n/an/a 220n/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))
BDBM50039733
PNG
(1-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline | ...)
Show SMILES C(Cc1nccc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2
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n/an/a 220n/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))
BDBM50039733
PNG
(1-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline | ...)
Show SMILES C(Cc1nccc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2
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n/an/a 220n/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)


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


(Homo sapiens (Human))
BDBM50039733
PNG
(1-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline | ...)
Show SMILES C(Cc1nccc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2
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PubMed
n/an/a 220n/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