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PubMed code 26851737

Compile data set for download or QSAR
Found 36 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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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PubMed
n/an/a 19n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175418
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES COc1ccccc1C1=C(C#N)C(NC(C)(C1)c1ccccc1OC)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7O2/c1-24(19-9-5-7-11-21(19)33-3)12-16(15-8-4-6-10-20(15)32-2)17(13-25)22(27-24)18(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-18+
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n/an/a 290n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175410
PNG
(2-[3-cyano-4,6-bis(3-methoxyphenyl)-6-methyl-1,2,5...)
Show SMILES COc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(OC)c1)=C(C#N)C#N
Show InChI InChI=1S/C24H20N4O2/c1-24(18-7-5-9-20(11-18)30-3)12-21(16-6-4-8-19(10-16)29-2)22(15-27)23(28-24)17(13-25)14-26/h4-11,28H,12H2,1-3H3
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n/an/a 1.56E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175415
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H15F2N7/c1-22(14-4-8-16(24)9-5-14)10-17(13-2-6-15(23)7-3-13)18(11-25)20(27-22)19(12-26)21-28-30-31-29-21/h2-9,27H,10H2,1H3,(H,28,29,30,31)/b20-19+
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PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175416
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1cccc(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H15Cl2N7/c1-22(14-5-3-7-16(24)9-14)10-17(13-4-2-6-15(23)8-13)18(11-25)20(27-22)19(12-26)21-28-30-31-29-21/h2-9,27H,10H2,1H3,(H,28,29,30,31)/b20-19+
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PubMed
n/an/a 2.32E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175419
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H17N7O2/c1-22(14-4-8-16(31)9-5-14)10-17(13-2-6-15(30)7-3-13)18(11-23)20(25-22)19(12-24)21-26-28-29-27-21/h2-9,25,30-31H,10H2,1H3,(H,26,27,28,29)/b20-19+
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PubMed
n/an/a 2.45E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175416
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1cccc(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H15Cl2N7/c1-22(14-5-3-7-16(24)9-14)10-17(13-4-2-6-15(23)8-13)18(11-25)20(27-22)19(12-26)21-28-30-31-29-21/h2-9,27H,10H2,1H3,(H,28,29,30,31)/b20-19+
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PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175413
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES Cc1ccc(cc1)C1=C(C#N)C(NC(C)(C1)c1ccc(C)cc1)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7/c1-15-4-8-17(9-5-15)19-12-24(3,18-10-6-16(2)7-11-18)27-22(20(19)13-25)21(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-21+
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PubMed
n/an/a 4.45E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175417
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES COc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(OC)c1)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7O2/c1-24(16-7-5-9-18(11-16)33-3)12-19(15-6-4-8-17(10-15)32-2)20(13-25)22(27-24)21(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-21+
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PubMed
n/an/a 5.11E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175406
PNG
(2-[3-cyano-6-methyl-4,6-bis(3-methylphenyl)-1,2,5,...)
Show SMILES Cc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(C)c1)=C(C#N)C#N
Show InChI InChI=1S/C24H20N4/c1-16-6-4-8-18(10-16)21-12-24(3,20-9-5-7-17(2)11-20)28-23(22(21)15-27)19(13-25)14-26/h4-11,28H,12H2,1-3H3
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PubMed
n/an/a 5.21E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175411
PNG
(2-[3-cyano-4,6-bis(4-hydroxyphenyl)-6-methyl-1,2,5...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H16N4O2/c1-22(16-4-8-18(28)9-5-16)10-19(14-2-6-17(27)7-3-14)20(13-25)21(26-22)15(11-23)12-24/h2-9,26-28H,10H2,1H3
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n/an/a 5.38E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175413
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES Cc1ccc(cc1)C1=C(C#N)C(NC(C)(C1)c1ccc(C)cc1)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7/c1-15-4-8-17(9-5-15)19-12-24(3,18-10-6-16(2)7-11-18)27-22(20(19)13-25)21(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-21+
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PubMed
n/an/a 5.87E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175412
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N7/c1-22(16-10-6-3-7-11-16)12-17(15-8-4-2-5-9-15)18(13-23)20(25-22)19(14-24)21-26-28-29-27-21/h2-11,25H,12H2,1H3,(H,26,27,28,29)/b20-19+
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n/an/a 7.02E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175419
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H17N7O2/c1-22(14-4-8-16(31)9-5-14)10-17(13-2-6-15(30)7-3-13)18(11-23)20(25-22)19(12-24)21-26-28-29-27-21/h2-9,25,30-31H,10H2,1H3,(H,26,27,28,29)/b20-19+
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n/an/a 7.42E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175409
PNG
(2-[3-cyano-4,6-bis(3-fluorophenyl)-6-methyl-1,2,5,...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H14F2N4/c1-22(16-5-3-7-18(24)9-16)10-19(14-4-2-6-17(23)8-14)20(13-27)21(28-22)15(11-25)12-26/h2-9,28H,10H2,1H3
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n/an/a 8.01E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 8.41E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175408
PNG
(2-[3-cyano-4,6-bis(4-iodophenyl)-6-methyl-1,2,5,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccc(I)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C22H14I2N4/c1-22(16-4-8-18(24)9-5-16)10-19(14-2-6-17(23)7-3-14)20(13-27)21(28-22)15(11-25)12-26/h2-9,28H,10H2,1H3
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PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175407
PNG
(2-[3-cyano-4,6-bis(4-fluorophenyl)-6-methyl-1,2,5,...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H14F2N4/c1-22(16-4-8-18(24)9-5-16)10-19(14-2-6-17(23)7-3-14)20(13-27)21(28-22)15(11-25)12-26/h2-9,28H,10H2,1H3
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PubMed
n/an/a 1.19E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175405
PNG
(2-[3-cyano-6-methyl-4,6-bis(4-methylphenyl)-1,2,5,...)
Show SMILES Cc1ccc(cc1)C1=C(C#N)C(NC(C)(C1)c1ccc(C)cc1)=C(C#N)C#N
Show InChI InChI=1S/C24H20N4/c1-16-4-8-18(9-5-16)21-12-24(3,20-10-6-17(2)7-11-20)28-23(22(21)15-27)19(13-25)14-26/h4-11,28H,12H2,1-3H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
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n/an/a 1.93E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175404
PNG
(2-Dicyanomethylene-6-methyl-4,6-bis(phenyl)-1,2,5,...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H16N4/c1-22(18-10-6-3-7-11-18)12-19(16-8-4-2-5-9-16)20(15-25)21(26-22)17(13-23)14-24/h2-11,26H,12H2,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175418
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES COc1ccccc1C1=C(C#N)C(NC(C)(C1)c1ccccc1OC)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7O2/c1-24(19-9-5-7-11-21(19)33-3)12-16(15-8-4-6-10-20(15)32-2)17(13-25)22(27-24)18(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-18+
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n/an/a 2.03E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM175414
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES Cc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(C)c1)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7/c1-15-6-4-8-17(10-15)19-12-24(3,18-9-5-7-16(2)11-18)27-22(20(19)13-25)21(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-21+
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n/an/a 2.08E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175412
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N7/c1-22(16-10-6-3-7-11-16)12-17(15-8-4-2-5-9-15)18(13-23)20(25-22)19(14-24)21-26-28-29-27-21/h2-11,25H,12H2,1H3,(H,26,27,28,29)/b20-19+
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n/an/a 2.21E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175406
PNG
(2-[3-cyano-6-methyl-4,6-bis(3-methylphenyl)-1,2,5,...)
Show SMILES Cc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(C)c1)=C(C#N)C#N
Show InChI InChI=1S/C24H20N4/c1-16-6-4-8-18(10-16)21-12-24(3,20-9-5-7-17(2)11-20)28-23(22(21)15-27)19(13-25)14-26/h4-11,28H,12H2,1-3H3
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n/an/a 3.59E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175405
PNG
(2-[3-cyano-6-methyl-4,6-bis(4-methylphenyl)-1,2,5,...)
Show SMILES Cc1ccc(cc1)C1=C(C#N)C(NC(C)(C1)c1ccc(C)cc1)=C(C#N)C#N
Show InChI InChI=1S/C24H20N4/c1-16-4-8-18(9-5-16)21-12-24(3,20-10-6-17(2)7-11-20)28-23(22(21)15-27)19(13-25)14-26/h4-11,28H,12H2,1-3H3
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n/an/a 3.65E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175415
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H15F2N7/c1-22(14-4-8-16(24)9-5-14)10-17(13-2-6-15(23)7-3-13)18(11-25)20(27-22)19(12-26)21-28-30-31-29-21/h2-9,27H,10H2,1H3,(H,28,29,30,31)/b20-19+
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n/an/a 3.88E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175417
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES COc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(OC)c1)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7O2/c1-24(16-7-5-9-18(11-16)33-3)12-19(15-6-4-8-17(10-15)32-2)20(13-25)22(27-24)21(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-21+
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n/an/a 3.92E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175411
PNG
(2-[3-cyano-4,6-bis(4-hydroxyphenyl)-6-methyl-1,2,5...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H16N4O2/c1-22(16-4-8-18(28)9-5-16)10-19(14-2-6-17(27)7-3-14)20(13-25)21(26-22)15(11-23)12-24/h2-9,26-28H,10H2,1H3
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n/an/a 4.22E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
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n/an/a 4.32E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175408
PNG
(2-[3-cyano-4,6-bis(4-iodophenyl)-6-methyl-1,2,5,6-...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccc(I)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C22H14I2N4/c1-22(16-4-8-18(24)9-5-16)10-19(14-2-6-17(23)7-3-14)20(13-27)21(28-22)15(11-25)12-26/h2-9,28H,10H2,1H3
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n/an/a 4.53E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175404
PNG
(2-Dicyanomethylene-6-methyl-4,6-bis(phenyl)-1,2,5,...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H16N4/c1-22(18-10-6-3-7-11-18)12-19(16-8-4-2-5-9-16)20(15-25)21(26-22)17(13-23)14-24/h2-11,26H,12H2,1H3
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n/an/a 4.81E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175410
PNG
(2-[3-cyano-4,6-bis(3-methoxyphenyl)-6-methyl-1,2,5...)
Show SMILES COc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(OC)c1)=C(C#N)C#N
Show InChI InChI=1S/C24H20N4O2/c1-24(18-7-5-9-20(11-18)30-3)12-21(16-6-4-8-19(10-16)29-2)22(15-27)23(28-24)17(13-25)14-26/h4-11,28H,12H2,1-3H3
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n/an/a 4.82E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175407
PNG
(2-[3-cyano-4,6-bis(4-fluorophenyl)-6-methyl-1,2,5,...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H14F2N4/c1-22(16-4-8-18(24)9-5-16)10-19(14-2-6-17(23)7-3-14)20(13-27)21(28-22)15(11-25)12-26/h2-9,28H,10H2,1H3
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n/an/a 5.52E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175414
PNG
(2-(Cyano(1H-tetrazol-5-yl)methylene)-6-methyl-4,6-...)
Show SMILES Cc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(C)c1)=C(C#N)c1nnn[nH]1
Show InChI InChI=1S/C24H21N7/c1-15-6-4-8-17(10-15)19-12-24(3,18-9-5-7-16(2)11-18)27-22(20(19)13-25)21(14-26)23-28-30-31-29-23/h4-11,27H,12H2,1-3H3,(H,28,29,30,31)/b22-21+
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n/an/a 6.22E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM175409
PNG
(2-[3-cyano-4,6-bis(3-fluorophenyl)-6-methyl-1,2,5,...)
Show SMILES CC1(CC(=C(C#N)C(N1)=C(C#N)C#N)c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H14F2N4/c1-22(16-5-3-7-18(24)9-16)10-19(14-4-2-6-17(23)8-14)20(13-27)21(28-22)15(11-25)12-26/h2-9,28H,10H2,1H3
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n/an/a 6.88E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Inhibitory activities of AChE and BChE were evaluated by using the Ellman's method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inh...


Bioorg Chem 65: 38-47 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q27D2SX9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%