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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10620'   
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
Acetylcholinesterase


(Mus musculus (mouse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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1.31E+5n/a 5.34E+3n/an/an/an/a8.0n/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...


Bioorg Chem 60: 64-73 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.004
BindingDB Entry DOI: 10.7270/Q25B016Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Alchemical Research, LLC

Curated by ChEMBL


Assay Description
Inhibition of AChE-induced amyloid beta aggregation


Bioorg Med Chem Lett 21: 2687-91 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.041
BindingDB Entry DOI: 10.7270/Q27W6CH9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Alchemical Research, LLC

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


Bioorg Med Chem Lett 25: 4848-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.047
BindingDB Entry DOI: 10.7270/Q2668G1T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 920n/an/an/an/a7.437



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.11E+3n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 90 mins before substrate addition by Ellman's metho...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.54E+3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat cortex acetylcholinesterase


Bioorg Med Chem Lett 15: 3834-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.132
BindingDB Entry DOI: 10.7270/Q27H1KBV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex after 15 mins by modified Ellman method


Eur J Med Chem 44: 7-17 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.003
BindingDB Entry DOI: 10.7270/Q29W0F8B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex after 15 mins by modified Ellman's method


Bioorg Med Chem 17: 6692-8 (2009)


Article DOI: 10.1016/j.bmc.2009.07.072
BindingDB Entry DOI: 10.7270/Q29S1R4M
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.62E+3n/an/an/an/an/an/a



Sention Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method


Bioorg Med Chem Lett 19: 3243-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.089
BindingDB Entry DOI: 10.7270/Q2VQ3300
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.03E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


J Med Chem 57: 8167-79 (2014)


Article DOI: 10.1021/jm501195e
BindingDB Entry DOI: 10.7270/Q22V2HQ7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.03E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant acetylcholinesterase


J Med Chem 50: 4882-97 (2007)


Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.03E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay


Eur J Med Chem 46: 5435-42 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.001
BindingDB Entry DOI: 10.7270/Q2ZS2WXV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.03E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AchE after 20 mins by Ellman's method


J Med Chem 51: 2883-6 (2008)


Article DOI: 10.1021/jm8002747
BindingDB Entry DOI: 10.7270/Q2Q52PFQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.15E+3n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.15E+3n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.15E+3n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 3684-91 (2002)


Article DOI: 10.1021/jm010491d
BindingDB Entry DOI: 10.7270/Q22J6933
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.15E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellmans test


J Med Chem 53: 6490-505 (2010)


Article DOI: 10.1021/jm100573q
BindingDB Entry DOI: 10.7270/Q23R0T3D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.15E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.15E+3n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human erythrocyte Acetylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.17E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 5 mins by Ellman's method


Eur J Med Chem 45: 5602-11 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.010
BindingDB Entry DOI: 10.7270/Q2ZP47CJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.50E+3n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE


J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.56E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 7275-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.061
BindingDB Entry DOI: 10.7270/Q25B03ZD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method


Bioorg Med Chem 23: 668-80 (2015)


Article DOI: 10.1016/j.bmc.2015.01.005
BindingDB Entry DOI: 10.7270/Q24T6M2R
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Sichuan University



Assay Description
For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)...


Chem Biol Drug Des 86: 1168-77 (2015)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2VM4B1P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.67E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)


Article DOI: 10.1016/j.bmc.2015.07.029
BindingDB Entry DOI: 10.7270/Q25T3N9G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 6.35E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...


Bioorg Med Chem 24: 672-80 (2016)


Article DOI: 10.1016/j.bmc.2015.12.031
BindingDB Entry DOI: 10.7270/Q2ZP4801
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method


Bioorg Med Chem 22: 6124-33 (2014)


Article DOI: 10.1016/j.bmc.2014.08.033
BindingDB Entry DOI: 10.7270/Q2474CNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.11E+4n/an/an/an/a8.0n/a



Tehran University of Medical Sciences



Assay Description
In vitro AChEI activity was performed based on the modified Ellman's methodas previously reported by our group using a 96-well plate reader (BioTek E...


Bioorg Chem 67: 84-94 (2016)


Article DOI: 10.1016/j.bioorg.2016.06.001
BindingDB Entry DOI: 10.7270/Q2R21066
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.11E+4n/an/an/an/a8.025



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.11E+4n/an/an/an/a8.025



Tehran University of Medical Sciences



Assay Description
In vitro anti-AChE activity was performed based on the modified Ellman's method [Ellman et al., Biochem. Pharmacol., 71:88-95]. For this purpose, syn...


Bioorg Chem 70: 86-93 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.011
BindingDB Entry DOI: 10.7270/Q2RR1X4C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Eur J Med Chem 92: 799-806 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.044
BindingDB Entry DOI: 10.7270/Q2XD13CP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...


Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
PDB
MMDB

KEGG

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n/an/a 2.10E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Eur J Med Chem 94: 348-66 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.063
BindingDB Entry DOI: 10.7270/Q2GQ70HK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
PDB
MMDB

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n/an/a 4.80E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of AChE


Bioorg Med Chem Lett 16: 5840-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.067
BindingDB Entry DOI: 10.7270/Q2G73DBZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.61E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.61E+4n/an/an/an/an/an/a



Charles University



Assay Description
The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...


Bioorg Chem 71: 244-256 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.010
BindingDB Entry DOI: 10.7270/Q2222SNQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 6.24E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE incubated for 15 mins using acetylcholine iodide substrate by colorimetric Ellman's method


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 6.52E+4n/an/an/an/an/an/a



University of Carthage



Assay Description
The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1...


Bioorg Chem 72: 301-307 (2017)


BindingDB Entry DOI: 10.7270/Q21G0K51
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.01E+5n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method


Bioorg Med Chem 21: 1735-48 (2013)


Article DOI: 10.1016/j.bmc.2013.01.052
BindingDB Entry DOI: 10.7270/Q2V989F2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.01E+5n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
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