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PubMed code 27914694

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222013
PNG
(N-((1-(3-chlorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Clc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H15ClN4O3/c21-15-6-3-4-13(8-15)12-25-16(11-23-24-25)10-22-19(26)17-9-14-5-1-2-7-18(14)28-20(17)27/h1-9,11H,10,12H2,(H,22,26)
PDB
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UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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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Article
PubMed
n/an/a 7.72E+3n/an/an/an/an/an/a



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 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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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Article
PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



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))
BDBM222019
PNG
(N-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methy...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccccc4Cl)nn3)c(=O)oc12
Show InChI InChI=1S/C21H17ClN4O4/c1-29-18-8-4-6-13-9-16(21(28)30-19(13)18)20(27)23-10-15-12-26(25-24-15)11-14-5-2-3-7-17(14)22/h2-9,12H,10-11H2,1H3,(H,23,27)
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UniChem
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PubMed
n/an/a 1.54E+4n/an/an/an/an/an/a



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))
BDBM222015
PNG
(N-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-5-yl)m...)
Show SMILES Clc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O3/c21-16-6-5-12(7-17(16)22)11-26-14(10-24-25-26)9-23-19(27)15-8-13-3-1-2-4-18(13)29-20(15)28/h1-8,10H,9,11H2,(H,23,27)
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UniChem
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PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



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))
BDBM222014
PNG
(N-((1-(2,3-dichlorobenzyl)-1H-1,2,3-triazol-5-yl)m...)
Show SMILES Clc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1Cl
Show InChI InChI=1S/C20H14Cl2N4O3/c21-16-6-3-5-13(18(16)22)11-26-14(10-24-25-26)9-23-19(27)15-8-12-4-1-2-7-17(12)29-20(15)28/h1-8,10H,9,11H2,(H,23,27)
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 2.02E+4n/an/an/an/an/an/a



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))
BDBM222018
PNG
(8-Methoxy-N-((1-(2-methylbenzyl)-1H-1,2,3-triazol-...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccccc4C)nn3)c(=O)oc12
Show InChI InChI=1S/C22H20N4O4/c1-14-6-3-4-7-16(14)12-26-13-17(24-25-26)11-23-21(27)18-10-15-8-5-9-19(29-2)20(15)30-22(18)28/h3-10,13H,11-12H2,1-2H3,(H,23,27)
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UniChem
Article
PubMed
n/an/a 2.41E+4n/an/an/an/an/an/a



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))
BDBM222021
PNG
(N-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)m...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)c(=O)oc12
Show InChI InChI=1S/C21H16Cl2N4O4/c1-30-18-4-2-3-13-8-15(21(29)31-19(13)18)20(28)24-9-14-11-27(26-25-14)10-12-5-6-16(22)17(23)7-12/h2-8,11H,9-10H2,1H3,(H,24,28)
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UniChem
Article
PubMed
n/an/a 2.55E+4n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222016
PNG
(N-((1-(2-bromobenzyl)-1H-1,2,3-triazol-5-yl)methyl...)
Show SMILES Brc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H15BrN4O3/c21-17-7-3-1-6-14(17)12-25-15(11-23-24-25)10-22-19(26)16-9-13-5-2-4-8-18(13)28-20(16)27/h1-9,11H,10,12H2,(H,22,26)
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B.MOAD
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PC sid
UniChem
Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



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))
BDBM222020
PNG
(N-((1-(2,3-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)m...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4cccc(Cl)c4Cl)nn3)c(=O)oc12
Show InChI InChI=1S/C21H16Cl2N4O4/c1-30-17-7-3-4-12-8-15(21(29)31-19(12)17)20(28)24-9-14-11-27(26-25-14)10-13-5-2-6-16(22)18(13)23/h2-8,11H,9-10H2,1H3,(H,24,28)
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UniChem
Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



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))
BDBM222012
PNG
(N-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Clc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H15ClN4O3/c21-17-7-3-1-6-14(17)12-25-15(11-23-24-25)10-22-19(26)16-9-13-5-2-4-8-18(13)28-20(16)27/h1-9,11H,10,12H2,(H,22,26)
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UniChem
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



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))
BDBM222010
PNG
(N-((1-(3-fluorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Fc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H15FN4O3/c21-15-6-3-4-13(8-15)12-25-16(11-23-24-25)10-22-19(26)17-9-14-5-1-2-7-18(14)28-20(17)27/h1-9,11H,10,12H2,(H,22,26)
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UniChem
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PubMed
n/an/a 4.81E+4n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222014
PNG
(N-((1-(2,3-dichlorobenzyl)-1H-1,2,3-triazol-5-yl)m...)
Show SMILES Clc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1Cl
Show InChI InChI=1S/C20H14Cl2N4O3/c21-16-6-3-5-13(18(16)22)11-26-14(10-24-25-26)9-23-19(27)15-8-12-4-1-2-7-17(12)29-20(15)28/h1-8,10H,9,11H2,(H,23,27)
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UniChem
Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222017
PNG
(N-((1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl)methyl...)
Show SMILES Brc1ccc(Cn2cc(CNC(=O)c3cc4ccccc4oc3=O)nn2)cc1
Show InChI InChI=1S/C20H15BrN4O3/c21-15-7-5-13(6-8-15)11-25-12-16(23-24-25)10-22-19(26)17-9-14-3-1-2-4-18(14)28-20(17)27/h1-9,12H,10-11H2,(H,22,26)
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UniChem
Article
PubMed
n/an/a 7.53E+4n/an/an/an/an/an/a



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))
BDBM222008
PNG
(N-((1-(2-methylbenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Cc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H18N4O3/c1-14-6-2-3-8-16(14)13-25-17(12-23-24-25)11-22-20(26)18-10-15-7-4-5-9-19(15)28-21(18)27/h2-10,12H,11,13H2,1H3,(H,22,26)
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UniChem
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PubMed
n/an/a 7.89E+4n/an/an/an/an/an/a



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))
BDBM222013
PNG
(N-((1-(3-chlorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Clc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H15ClN4O3/c21-15-6-3-4-13(8-15)12-25-16(11-23-24-25)10-22-19(26)17-9-14-5-1-2-7-18(14)28-20(17)27/h1-9,11H,10,12H2,(H,22,26)
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PubMed
n/an/a 9.28E+4n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222019
PNG
(N-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methy...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccccc4Cl)nn3)c(=O)oc12
Show InChI InChI=1S/C21H17ClN4O4/c1-29-18-8-4-6-13-9-16(21(28)30-19(13)18)20(27)23-10-15-12-26(25-24-15)11-14-5-2-3-7-17(14)22/h2-9,12H,10-11H2,1H3,(H,23,27)
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UniChem
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PubMed
n/an/a 9.61E+4n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222015
PNG
(N-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-5-yl)m...)
Show SMILES Clc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O3/c21-16-6-5-12(7-17(16)22)11-26-14(10-24-25-26)9-23-19(27)15-8-13-3-1-2-4-18(13)29-20(15)28/h1-8,10H,9,11H2,(H,23,27)
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222020
PNG
(N-((1-(2,3-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)m...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4cccc(Cl)c4Cl)nn3)c(=O)oc12
Show InChI InChI=1S/C21H16Cl2N4O4/c1-30-17-7-3-4-12-8-15(21(29)31-19(12)17)20(28)24-9-14-11-27(26-25-14)10-13-5-2-6-16(22)18(13)23/h2-8,11H,9-10H2,1H3,(H,24,28)
PDB
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



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))
BDBM222007
PNG
(N-((1-benzyl-1H-1,2,3-triazol-5-yl)methyl)-2-oxo-2...)
Show SMILES O=C(NCc1cnnn1Cc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H16N4O3/c25-19(17-10-15-8-4-5-9-18(15)27-20(17)26)21-11-16-12-22-23-24(16)13-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,21,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222010
PNG
(N-((1-(3-fluorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Fc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H15FN4O3/c21-15-6-3-4-13(8-15)12-25-16(11-23-24-25)10-22-19(26)17-9-14-5-1-2-7-18(14)28-20(17)27/h1-9,11H,10,12H2,(H,22,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222017
PNG
(N-((1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl)methyl...)
Show SMILES Brc1ccc(Cn2cc(CNC(=O)c3cc4ccccc4oc3=O)nn2)cc1
Show InChI InChI=1S/C20H15BrN4O3/c21-15-7-5-13(6-8-15)11-25-12-16(23-24-25)10-22-19(26)17-9-14-3-1-2-4-18(14)28-20(17)27/h1-9,12H,10-11H2,(H,22,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222007
PNG
(N-((1-benzyl-1H-1,2,3-triazol-5-yl)methyl)-2-oxo-2...)
Show SMILES O=C(NCc1cnnn1Cc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H16N4O3/c25-19(17-10-15-8-4-5-9-18(15)27-20(17)26)21-11-16-12-22-23-24(16)13-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,21,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222011
PNG
(N-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Fc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H15FN4O3/c21-15-7-5-13(6-8-15)12-25-16(11-23-24-25)10-22-19(26)17-9-14-3-1-2-4-18(14)28-20(17)27/h1-9,11H,10,12H2,(H,22,26)
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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222016
PNG
(N-((1-(2-bromobenzyl)-1H-1,2,3-triazol-5-yl)methyl...)
Show SMILES Brc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H15BrN4O3/c21-17-7-3-1-6-14(17)12-25-15(11-23-24-25)10-22-19(26)16-9-13-5-2-4-8-18(13)28-20(16)27/h1-9,11H,10,12H2,(H,22,26)
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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222018
PNG
(8-Methoxy-N-((1-(2-methylbenzyl)-1H-1,2,3-triazol-...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccccc4C)nn3)c(=O)oc12
Show InChI InChI=1S/C22H20N4O4/c1-14-6-3-4-7-16(14)12-26-13-17(24-25-26)11-23-21(27)18-10-15-8-5-9-19(29-2)20(15)30-22(18)28/h3-10,13H,11-12H2,1-2H3,(H,23,27)
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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222009
PNG
(N-((1-(4-methylbenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Cc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C21H18N4O3/c1-14-6-8-15(9-7-14)13-25-17(12-23-24-25)11-22-20(26)18-10-16-4-2-3-5-19(16)28-21(18)27/h2-10,12H,11,13H2,1H3,(H,22,26)
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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222012
PNG
(N-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Clc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H15ClN4O3/c21-17-7-3-1-6-14(17)12-25-15(11-23-24-25)10-22-19(26)16-9-13-5-2-4-8-18(13)28-20(16)27/h1-9,11H,10,12H2,(H,22,26)
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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))
BDBM222011
PNG
(N-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Fc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H15FN4O3/c21-15-7-5-13(6-8-15)12-25-16(11-23-24-25)10-22-19(26)17-9-14-3-1-2-4-18(14)28-20(17)27/h1-9,11H,10,12H2,(H,22,26)
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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))
BDBM222009
PNG
(N-((1-(4-methylbenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Cc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C21H18N4O3/c1-14-6-8-15(9-7-14)13-25-17(12-23-24-25)11-22-20(26)18-10-16-4-2-3-5-19(16)28-21(18)27/h2-10,12H,11,13H2,1H3,(H,22,26)
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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222021
PNG
(N-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)m...)
Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)c(=O)oc12
Show InChI InChI=1S/C21H16Cl2N4O4/c1-30-18-4-2-3-13-8-15(21(29)31-19(13)18)20(28)24-9-14-11-27(26-25-14)10-12-5-6-16(22)17(23)7-12/h2-8,11H,9-10H2,1H3,(H,24,28)
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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM222008
PNG
(N-((1-(2-methylbenzyl)-1H-1,2,3-triazol-5-yl)methy...)
Show SMILES Cc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H18N4O3/c1-14-6-2-3-8-16(14)13-25-17(12-23-24-25)11-22-20(26)18-10-15-7-4-5-9-19(15)28-21(18)27/h2-10,12H,11,13H2,1H3,(H,22,26)
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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
* indicates data uncertainty>20%