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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'akbarzadeh' and Initial = 't'   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM16047
PNG
((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1
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n/an/a 14n/an/an/an/an/an/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
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)
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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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50072951
PNG
(CHEMBL3410478)
Show SMILES COc1ccc2n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C24H19ClN4O2/c1-31-19-10-11-23-21(12-19)24(30)20-4-2-3-5-22(20)29(23)15-18-14-28(27-26-18)13-16-6-8-17(25)9-7-16/h2-12,14H,13,15H2,1H3
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n/an/a 7.31E+3n/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
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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n/an/a 7.72E+3n/an/an/an/an/an/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
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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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
Beta-secretase 1


(Homo sapiens (Human))
BDBM192688
PNG
(7-(4-((6-Chloro-2,3-dihydro-1H-cyclopenta[b]quinol...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5cc(Cl)ccc45)cc3)ccc12
Show InChI InChI=1S/C28H21ClN2O3/c1-16-13-27(32)34-26-15-20(10-12-21(16)26)33-19-8-6-18(7-9-19)30-28-22-3-2-4-24(22)31-25-14-17(29)5-11-23(25)28/h5-15H,2-4H2,1H3,(H,30,31)
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n/an/a 7.99E+3n/an/an/an/an/an/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))
BDBM50072947
PNG
(CHEMBL3410483)
Show SMILES Cc1ccc2n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C24H19ClN4O/c1-16-6-11-23-21(12-16)24(30)20-4-2-3-5-22(20)29(23)15-19-14-28(27-26-19)13-17-7-9-18(25)10-8-17/h2-12,14H,13,15H2,1H3
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n/an/a 1.08E+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 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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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 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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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))
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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n/an/a 1.11E+4n/an/an/an/an/an/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 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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n/an/a 1.11E+4n/an/an/an/an/an/a



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))
BDBM170151
PNG
(10-((1-((3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C26H20N6O3/c1-34-19-12-10-17(11-13-19)26-27-24(35-29-26)16-31-14-18(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM192685
PNG
(7-(4-((6-Chloro-2,3-dihydro-1H-cyclopenta[b]quinol...)
Show SMILES Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCc3nc2c1
Show InChI InChI=1S/C27H19ClN2O3/c28-17-6-12-22-24(14-17)30-23-3-1-2-21(23)27(22)29-18-7-10-19(11-8-18)32-20-9-4-16-5-13-26(31)33-25(16)15-20/h4-15H,1-3H2,(H,29,30)
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n/an/a 1.17E+4n/an/an/an/an/an/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))
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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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))
BDBM192688
PNG
(7-(4-((6-Chloro-2,3-dihydro-1H-cyclopenta[b]quinol...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5cc(Cl)ccc45)cc3)ccc12
Show InChI InChI=1S/C28H21ClN2O3/c1-16-13-27(32)34-26-15-20(10-12-21(16)26)33-19-8-6-18(7-9-19)30-28-22-3-2-4-24(22)31-25-14-17(29)5-11-23(25)28/h5-15H,2-4H2,1H3,(H,30,31)
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n/an/a 1.62E+4n/an/an/an/an/an/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))
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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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))
BDBM50072954
PNG
(CHEMBL3410475)
Show SMILES Clc1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)cc1
Show InChI InChI=1S/C23H16Cl2N4O/c24-16-7-5-15(6-8-16)12-28-13-18(26-27-28)14-29-21-4-2-1-3-19(21)23(30)20-11-17(25)9-10-22(20)29/h1-11,13H,12,14H2
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n/an/a 1.77E+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))
BDBM192694
PNG
(7-(4-((6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5cc(Cl)ccc45)cc3)ccc12
Show InChI InChI=1S/C29H23ClN2O3/c1-17-14-28(33)35-27-16-21(11-13-22(17)27)34-20-9-7-19(8-10-20)31-29-23-4-2-3-5-25(23)32-26-15-18(30)6-12-24(26)29/h6-16H,2-5H2,1H3,(H,31,32)
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n/an/a 1.80E+4n/an/an/an/an/an/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))
BDBM192690
PNG
(7-(4-((1,2,3,4-Tetrahydroacridin-9-yl)amino)phenox...)
Show SMILES O=c1ccc2ccc(Oc3ccc(Nc4c5CCCCc5nc5ccccc45)cc3)cc2o1
Show InChI InChI=1S/C28H22N2O3/c31-27-16-10-18-9-13-21(17-26(18)33-27)32-20-14-11-19(12-15-20)29-28-22-5-1-3-7-24(22)30-25-8-4-2-6-23(25)28/h1,3,5,7,9-17H,2,4,6,8H2,(H,29,30)
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n/an/a 1.91E+4n/an/an/an/an/an/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))
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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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))
BDBM192693
PNG
(4-Methyl-7-(4-((1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccccc45)cc3)ccc12
Show InChI InChI=1S/C29H24N2O3/c1-18-16-28(32)34-27-17-21(14-15-22(18)27)33-20-12-10-19(11-13-20)30-29-23-6-2-4-8-25(23)31-26-9-5-3-7-24(26)29/h2,4,6,8,10-17H,3,5,7,9H2,1H3,(H,30,31)
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n/an/a 2.21E+4n/an/an/an/an/an/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))
BDBM50072952
PNG
(CHEMBL3410477)
Show SMILES COc1ccc2n(Cc3cn(Cc4ccccc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C24H20N4O2/c1-30-19-11-12-23-21(13-19)24(29)20-9-5-6-10-22(20)28(23)16-18-15-27(26-25-18)14-17-7-3-2-4-8-17/h2-13,15H,14,16H2,1H3
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n/an/a 2.40E+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))
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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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))
BDBM50072946
PNG
(CHEMBL3410485)
Show SMILES Fc1cccc2c1n(Cc1cn(Cc3ccc(Cl)cc3)nn1)c1ccccc1c2=O
Show InChI InChI=1S/C23H16ClFN4O/c24-16-10-8-15(9-11-16)12-28-13-17(26-27-28)14-29-21-7-2-1-4-18(21)23(30)19-5-3-6-20(25)22(19)29/h1-11,13H,12,14H2
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n/an/a 2.45E+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))
BDBM170152
PNG
(10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C25H17ClN6O2/c26-17-11-9-16(10-12-17)25-27-23(34-29-25)15-31-13-18(28-30-31)14-32-21-7-3-1-5-19(21)24(33)20-6-2-4-8-22(20)32/h1-13H,14-15H2
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n/an/a 2.47E+4n/an/an/an/an/an/a



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))
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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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))
BDBM192690
PNG
(7-(4-((1,2,3,4-Tetrahydroacridin-9-yl)amino)phenox...)
Show SMILES O=c1ccc2ccc(Oc3ccc(Nc4c5CCCCc5nc5ccccc45)cc3)cc2o1
Show InChI InChI=1S/C28H22N2O3/c31-27-16-10-18-9-13-21(17-26(18)33-27)32-20-14-11-19(12-15-20)29-28-22-5-1-3-7-24(22)30-25-8-4-2-6-23(25)28/h1,3,5,7,9-17H,2,4,6,8H2,(H,29,30)
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n/an/a 2.87E+4n/an/an/an/an/an/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))
BDBM192695
PNG
(7-(4-((7-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccc(Cl)cc45)cc3)ccc12
Show InChI InChI=1S/C29H23ClN2O3/c1-17-14-28(33)35-27-16-21(11-12-22(17)27)34-20-9-7-19(8-10-20)31-29-23-4-2-3-5-25(23)32-26-13-6-18(30)15-24(26)29/h6-16H,2-5H2,1H3,(H,31,32)
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n/an/a 3.08E+4n/an/an/an/an/an/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
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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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM192694
PNG
(7-(4-((6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5cc(Cl)ccc45)cc3)ccc12
Show InChI InChI=1S/C29H23ClN2O3/c1-17-14-28(33)35-27-16-21(11-13-22(17)27)34-20-9-7-19(8-10-20)31-29-23-4-2-3-5-25(23)32-26-15-18(30)6-12-24(26)29/h6-16H,2-5H2,1H3,(H,31,32)
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n/an/a 3.12E+4n/an/an/an/an/an/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))
BDBM192699
PNG
(7-(4-((3-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5cc(Cl)ccc45)cc3)ccc12
Show InChI InChI=1S/C30H25ClN2O3/c1-18-15-29(34)36-28-17-22(12-14-23(18)28)35-21-10-8-20(9-11-21)32-30-24-5-3-2-4-6-26(24)33-27-16-19(31)7-13-25(27)30/h7-17H,2-6H2,1H3,(H,32,33)
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n/an/a 3.18E+4n/an/an/an/an/an/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))
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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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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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))
BDBM192689
PNG
(7-(4-((7-Chloro-2,3-dihydro-1H-cyclopenta[b]quinol...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5ccc(Cl)cc45)cc3)ccc12
Show InChI InChI=1S/C28H21ClN2O3/c1-16-13-27(32)34-26-15-20(10-11-21(16)26)33-19-8-6-18(7-9-19)30-28-22-3-2-4-24(22)31-25-12-5-17(29)14-23(25)28/h5-15H,2-4H2,1H3,(H,30,31)
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n/an/a 3.67E+4n/an/an/an/an/an/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))
BDBM50072953
PNG
(CHEMBL3410476)
Show SMILES [O-][N+](=O)c1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)cc1
Show InChI InChI=1S/C23H16ClN5O3/c24-16-7-10-22-20(11-16)23(30)19-3-1-2-4-21(19)28(22)14-17-13-27(26-25-17)12-15-5-8-18(9-6-15)29(31)32/h1-11,13H,12,14H2
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n/an/a 3.83E+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))
BDBM192686
PNG
(7-(4-((7-Chloro-2,3-dihydro-1H-cyclopenta[b]quinol...)
Show SMILES Clc1ccc2nc3CCCc3c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c2c1
Show InChI InChI=1S/C27H19ClN2O3/c28-17-6-12-24-22(14-17)27(21-2-1-3-23(21)30-24)29-18-7-10-19(11-8-18)32-20-9-4-16-5-13-26(31)33-25(16)15-20/h4-15H,1-3H2,(H,29,30)
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n/an/a 3.85E+4n/an/an/an/an/an/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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM192693
PNG
(4-Methyl-7-(4-((1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccccc45)cc3)ccc12
Show InChI InChI=1S/C29H24N2O3/c1-18-16-28(32)34-27-17-21(14-15-22(18)27)33-20-12-10-19(11-13-20)30-29-23-6-2-4-8-25(23)31-26-9-5-3-7-24(26)29/h2,4,6,8,10-17H,3,5,7,9H2,1H3,(H,30,31)
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n/an/a 3.86E+4n/an/an/an/an/an/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))
BDBM170163
PNG
(2-Chloro-10-((1-((3-(4-chlorophenyl)-1,2,4-oxadiaz...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Show InChI InChI=1S/C25H16Cl2N6O2/c26-16-7-5-15(6-8-16)25-28-23(35-30-25)14-32-12-18(29-31-32)13-33-21-4-2-1-3-19(21)24(34)20-11-17(27)9-10-22(20)33/h1-12H,13-14H2
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n/an/a 4.49E+4n/an/an/an/an/an/a



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))
BDBM192687
PNG
(7-(4-((2,3-Dihydro-1H-cyclopenta[b]quinolin-9-yl)a...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5ccccc45)cc3)ccc12
Show InChI InChI=1S/C28H22N2O3/c1-17-15-27(31)33-26-16-20(13-14-21(17)26)32-19-11-9-18(10-12-19)29-28-22-5-2-3-7-24(22)30-25-8-4-6-23(25)28/h2-3,5,7,9-16H,4,6,8H2,1H3,(H,29,30)
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n/an/a 4.53E+4n/an/an/an/an/an/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))
BDBM50072949
PNG
(CHEMBL3410480)
Show SMILES Clc1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)cc1
Show InChI InChI=1S/C23H16BrClN4O/c24-16-7-10-22-20(11-16)23(30)19-3-1-2-4-21(19)29(22)14-18-13-28(27-26-18)12-15-5-8-17(25)9-6-15/h1-11,13H,12,14H2
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n/an/a 4.56E+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))
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 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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170150
PNG
(10-((1-((3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)methyl)-...)
Show SMILES Cc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C26H20N6O2/c1-17-10-12-18(13-11-17)26-27-24(34-29-26)16-31-14-19(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



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))
BDBM50072948
PNG
(CHEMBL3410481)
Show SMILES [O-][N+](=O)c1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)cc1
Show InChI InChI=1S/C23H16BrN5O3/c24-16-7-10-22-20(11-16)23(30)19-3-1-2-4-21(19)28(22)14-17-13-27(26-25-17)12-15-5-8-18(9-6-15)29(31)32/h1-11,13H,12,14H2
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n/an/a 5.28E+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))
BDBM192700
PNG
(7-(4-(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5ccc(Cl)cc45)cc3)ccc12
Show InChI InChI=1S/C30H25ClN2O3/c1-18-15-29(34)36-28-17-22(12-13-23(18)28)35-21-10-8-20(9-11-21)32-30-24-5-3-2-4-6-26(24)33-27-14-7-19(31)16-25(27)30/h7-17H,2-6H2,1H3,(H,32,33)
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n/an/a 5.41E+4n/an/an/an/an/an/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))
BDBM50072956
PNG
(CHEMBL3410473)
Show SMILES Clc1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)cc1
Show InChI InChI=1S/C23H17ClN4O/c24-17-11-9-16(10-12-17)13-27-14-18(25-26-27)15-28-21-7-3-1-5-19(21)23(29)20-6-2-4-8-22(20)28/h1-12,14H,13,15H2
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n/an/a 5.97E+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))
BDBM192698
PNG
(4-Methyl-7-(4-((7,8,9,10-tetrahydro-6H-cyclohepta[...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5ccccc45)cc3)ccc12
Show InChI InChI=1S/C30H26N2O3/c1-19-17-29(33)35-28-18-22(15-16-23(19)28)34-21-13-11-20(12-14-21)31-30-24-7-3-2-4-9-26(24)32-27-10-6-5-8-25(27)30/h5-6,8,10-18H,2-4,7,9H2,1H3,(H,31,32)
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n/an/a 6.44E+4n/an/an/an/an/an/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
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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MMDB

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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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170153
PNG
(10-((1-((3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES Brc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C25H17BrN6O2/c26-17-11-9-16(10-12-17)25-27-23(34-29-25)15-31-13-18(28-30-31)14-32-21-7-3-1-5-19(21)24(33)20-6-2-4-8-22(20)32/h1-13H,14-15H2
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n/an/a 6.74E+4n/an/an/an/an/an/a



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))
BDBM50072950
PNG
(CHEMBL3410479)
Show SMILES Brc1ccc2n(Cc3cn(Cc4ccccc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C23H17BrN4O/c24-17-10-11-22-20(12-17)23(29)19-8-4-5-9-21(19)28(22)15-18-14-27(26-25-18)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2
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n/an/a 6.81E+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
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 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
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