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PubMed code 27289559

Compile data set for download or QSAR
Found 38 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
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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PubMed
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))
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
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))
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
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))
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))
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))
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
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))
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))
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))
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))
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))
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))
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM192684
PNG
(7-(4-((2,3-Dihydro-1H-cyclopenta[b]quinolin-9-yl)a...)
Show SMILES O=c1ccc2ccc(Oc3ccc(Nc4c5CCCc5nc5ccccc45)cc3)cc2o1
Show InChI InChI=1S/C27H20N2O3/c30-26-15-9-17-8-12-20(16-25(17)32-26)31-19-13-10-18(11-14-19)28-27-21-4-1-2-6-23(21)29-24-7-3-5-22(24)27/h1-2,4,6,8-16H,3,5,7H2,(H,28,29)
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n/an/a 8.31E+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))
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>1.00E+5n/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))
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>1.00E+5n/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))
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>1.00E+5n/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))
BDBM192692
PNG
(7-(4-((7-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Clc1ccc2nc3CCCCc3c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c2c1
Show InChI InChI=1S/C28H21ClN2O3/c29-18-7-13-25-23(15-18)28(22-3-1-2-4-24(22)31-25)30-19-8-11-20(12-9-19)33-21-10-5-17-6-14-27(32)34-26(17)16-21/h5-16H,1-4H2,(H,30,31)
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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 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))
BDBM192691
PNG
(7-(4-((6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCCc3nc2c1
Show InChI InChI=1S/C28H21ClN2O3/c29-18-7-13-23-25(15-18)31-24-4-2-1-3-22(24)28(23)30-19-8-11-20(12-9-19)33-21-10-5-17-6-14-27(32)34-26(17)16-21/h5-16H,1-4H2,(H,30,31)
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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 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))
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>1.00E+5n/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))
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>1.00E+5n/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))
BDBM192692
PNG
(7-(4-((7-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Clc1ccc2nc3CCCCc3c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c2c1
Show InChI InChI=1S/C28H21ClN2O3/c29-18-7-13-25-23(15-18)28(22-3-1-2-4-24(22)31-25)30-19-8-11-20(12-9-19)33-21-10-5-17-6-14-27(32)34-26(17)16-21/h5-16H,1-4H2,(H,30,31)
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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 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))
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>1.00E+5n/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))
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>1.00E+5n/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))
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>1.00E+5n/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))
BDBM192697
PNG
(7-(4-((3-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[...)
Show SMILES Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCCCc3nc2c1
Show InChI InChI=1S/C29H23ClN2O3/c30-19-8-14-24-26(16-19)32-25-5-3-1-2-4-23(25)29(24)31-20-9-12-21(13-10-20)34-22-11-6-18-7-15-28(33)35-27(18)17-22/h6-17H,1-5H2,(H,31,32)
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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 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))
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>1.00E+5n/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))
BDBM192691
PNG
(7-(4-((6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCCc3nc2c1
Show InChI InChI=1S/C28H21ClN2O3/c29-18-7-13-23-25(15-18)31-24-4-2-1-3-22(24)28(23)30-19-8-11-20(12-9-19)33-21-10-5-17-6-14-27(32)34-26(17)16-21/h5-16H,1-4H2,(H,30,31)
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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 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))
BDBM192696
PNG
(7-(4-((7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinoli...)
Show SMILES O=c1ccc2ccc(Oc3ccc(Nc4c5CCCCCc5nc5ccccc45)cc3)cc2o1
Show InChI InChI=1S/C29H24N2O3/c32-28-17-11-19-10-14-22(18-27(19)34-28)33-21-15-12-20(13-16-21)30-29-23-6-2-1-3-8-25(23)31-26-9-5-4-7-24(26)29/h4-5,7,9-18H,1-3,6,8H2,(H,30,31)
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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 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))
BDBM192697
PNG
(7-(4-((3-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[...)
Show SMILES Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCCCc3nc2c1
Show InChI InChI=1S/C29H23ClN2O3/c30-19-8-14-24-26(16-19)32-25-5-3-1-2-4-23(25)29(24)31-20-9-12-21(13-10-20)34-22-11-6-18-7-15-28(33)35-27(18)17-22/h6-17H,1-5H2,(H,31,32)
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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 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))
BDBM192696
PNG
(7-(4-((7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinoli...)
Show SMILES O=c1ccc2ccc(Oc3ccc(Nc4c5CCCCCc5nc5ccccc45)cc3)cc2o1
Show InChI InChI=1S/C29H24N2O3/c32-28-17-11-19-10-14-22(18-27(19)34-28)33-21-15-12-20(13-16-21)30-29-23-6-2-1-3-8-25(23)31-26-9-5-4-7-24(26)29/h4-5,7,9-18H,1-3,6,8H2,(H,30,31)
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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 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))
BDBM192684
PNG
(7-(4-((2,3-Dihydro-1H-cyclopenta[b]quinolin-9-yl)a...)
Show SMILES O=c1ccc2ccc(Oc3ccc(Nc4c5CCCc5nc5ccccc45)cc3)cc2o1
Show InChI InChI=1S/C27H20N2O3/c30-26-15-9-17-8-12-20(16-25(17)32-26)31-19-13-10-18(11-14-19)28-27-21-4-1-2-6-23(21)29-24-7-3-5-22(24)27/h1-2,4,6,8-16H,3,5,7H2,(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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
* indicates data uncertainty>20%