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Articleid 6112

Compile data set for download or QSAR
Found 68 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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n/an/a 30n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226151
PNG
(1-(4-Chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O/c1-16(2)13-23(14-17(3)4)25-22(27)20-7-5-6-8-21(20)26(23)15-18-9-11-19(24)12-10-18/h5-12,16-17H,13-15H2,1-4H3,(H,25,27)
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n/an/a 600n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226149
PNG
(1-Benzyl-2,2-diisobutyl-2,3-dihydro-1Hquinazolin-4...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-17(2)14-23(15-18(3)4)24-22(26)20-12-8-9-13-21(20)25(23)16-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3,(H,24,26)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226138
PNG
(1-(2-Chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O/c1-3-12-19(2)21-18(23)15-9-5-7-11-17(15)22(19)13-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226143
PNG
(1-(4-Chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl2N2O/c1-22(16-8-12-18(24)13-9-16)25-21(27)19-4-2-3-5-20(19)26(22)14-15-6-10-17(23)11-7-15/h2-13H,14H2,1H3,(H,25,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226151
PNG
(1-(4-Chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O/c1-16(2)13-23(14-17(3)4)25-22(27)20-7-5-6-8-21(20)26(23)15-18-9-11-19(24)12-10-18/h5-12,16-17H,13-15H2,1-4H3,(H,25,27)
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n/an/a 1.56E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226145
PNG
(1-Benzyl-2-isobutyl-2-methyl-2,3-dihydro-1H-quinaz...)
Show SMILES CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-15(2)13-20(3)21-19(23)17-11-7-8-12-18(17)22(20)14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,21,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226133
PNG
(1-Benzyl-2,2-diethyl-2,3-dihydro-1H-quinazolin-4-o...)
Show SMILES CCC1(CC)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-3-19(4-2)20-18(22)16-12-8-9-13-17(16)21(19)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H,20,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226123
PNG
(1-(4-Chloro-benzyl)-2,2-dimethyl-2,3-dihydro-1H-qu...)
Show SMILES CC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O/c1-17(2)19-16(21)14-5-3-4-6-15(14)20(17)11-12-7-9-13(18)10-8-12/h3-10H,11H2,1-2H3,(H,19,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226139
PNG
(1-(4-Chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-3-12-19(2)21-18(23)16-6-4-5-7-17(16)22(19)13-14-8-10-15(20)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226149
PNG
(1-Benzyl-2,2-diisobutyl-2,3-dihydro-1Hquinazolin-4...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-17(2)14-23(15-18(3)4)24-22(26)20-12-8-9-13-21(20)25(23)16-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3,(H,24,26)
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n/an/a 2.48E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226145
PNG
(1-Benzyl-2-isobutyl-2-methyl-2,3-dihydro-1H-quinaz...)
Show SMILES CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-15(2)13-20(3)21-19(23)17-11-7-8-12-18(17)22(20)14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,21,23)
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n/an/a 3.57E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226141
PNG
(1-Benzyl-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O/c1-22(17-11-13-18(23)14-12-17)24-21(26)19-9-5-6-10-20(19)25(22)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,26)
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n/an/a 3.76E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226134
PNG
(1-(2-Chloro-benzyl)-2,2-diethyl-2,3-dihydro-1Hquin...)
Show SMILES CCC1(CC)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O/c1-3-19(4-2)21-18(23)15-10-6-8-12-17(15)22(19)13-14-9-5-7-11-16(14)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226135
PNG
(1-(4-Chloro-benzyl)-2,2-diethyl-2,3-dihydro-1Hquin...)
Show SMILES CCC1(CC)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-3-19(4-2)21-18(23)16-7-5-6-8-17(16)22(19)13-14-9-11-15(20)12-10-14/h5-12H,3-4,13H2,1-2H3,(H,21,23)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226143
PNG
(1-(4-Chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl2N2O/c1-22(16-8-12-18(24)13-9-16)25-21(27)19-4-2-3-5-20(19)26(22)14-15-6-10-17(23)11-7-15/h2-13H,14H2,1H3,(H,25,27)
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n/an/a 4.48E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226133
PNG
(1-Benzyl-2,2-diethyl-2,3-dihydro-1H-quinazolin-4-o...)
Show SMILES CCC1(CC)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-3-19(4-2)20-18(22)16-12-8-9-13-17(16)21(19)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H,20,22)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226139
PNG
(1-(4-Chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-3-12-19(2)21-18(23)16-6-4-5-7-17(16)22(19)13-14-8-10-15(20)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226137
PNG
(1-Benzyl-2-methyl-2-propyl-2,3-dihydro-1H-quinazol...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-3-13-19(2)20-18(22)16-11-7-8-12-17(16)21(19)14-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,20,22)
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
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 5.40E+3n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226121
PNG
(1-Benzyl-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-...)
Show SMILES CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-17(2)18-16(20)14-10-6-7-11-15(14)19(17)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,18,20)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226138
PNG
(1-(2-Chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O/c1-3-12-19(2)21-18(23)15-9-5-7-11-17(15)22(19)13-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226131
PNG
(1-(4-Chloro-benzyl)-2-ethyl-2-methyl-2,3-dihydro-1...)
Show SMILES CCC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O/c1-3-18(2)20-17(22)15-6-4-5-7-16(15)21(18)12-13-8-10-14(19)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,22)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226147
PNG
(1-(4-Chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydr...)
Show SMILES CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN2O/c1-14(2)12-20(3)22-19(24)17-6-4-5-7-18(17)23(20)13-15-8-10-16(21)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,22,24)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226141
PNG
(1-Benzyl-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O/c1-22(17-11-13-18(23)14-12-17)24-21(26)19-9-5-6-10-20(19)25(22)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,26)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226150
PNG
(1-(2-Chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C23H29ClN2O/c1-16(2)13-23(14-17(3)4)25-22(27)19-10-6-8-12-21(19)26(23)15-18-9-5-7-11-20(18)24/h5-12,16-17H,13-15H2,1-4H3,(H,25,27)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226134
PNG
(1-(2-Chloro-benzyl)-2,2-diethyl-2,3-dihydro-1Hquin...)
Show SMILES CCC1(CC)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O/c1-3-19(4-2)21-18(23)15-10-6-8-12-17(15)22(19)13-14-9-5-7-11-16(14)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226147
PNG
(1-(4-Chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydr...)
Show SMILES CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN2O/c1-14(2)12-20(3)22-19(24)17-6-4-5-7-18(17)23(20)13-15-8-10-16(21)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,22,24)
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226129
PNG
(1-Benzyl-2-ethyl-2-methyl-2,3-dihydro-1H-quinazoli...)
Show SMILES CCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-3-18(2)19-17(21)15-11-7-8-12-16(15)20(18)13-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,19,21)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226130
PNG
(1-(2-Chloro-benzyl)-2-ethyl-2-methyl-2,3-dihydro-1...)
Show SMILES CCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C18H19ClN2O/c1-3-18(2)20-17(22)14-9-5-7-11-16(14)21(18)12-13-8-4-6-10-15(13)19/h4-11H,3,12H2,1-2H3,(H,20,22)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226122
PNG
(1-(2-Chloro-benzyl)-2,2-dimethyl-2,3-dihydro-1H-qu...)
Show SMILES CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C17H17ClN2O/c1-17(2)19-16(21)13-8-4-6-10-15(13)20(17)11-12-7-3-5-9-14(12)18/h3-10H,11H2,1-2H3,(H,19,21)
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n/an/a 1.32E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226150
PNG
(1-(2-Chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C23H29ClN2O/c1-16(2)13-23(14-17(3)4)25-22(27)19-10-6-8-12-21(19)26(23)15-18-9-5-7-11-20(18)24/h5-12,16-17H,13-15H2,1-4H3,(H,25,27)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226148
PNG
(1-Ethyl-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4...)
Show SMILES CCN1c2ccccc2C(=O)NC1(CC(C)C)CC(C)C
Show InChI InChI=1S/C18H28N2O/c1-6-20-16-10-8-7-9-15(16)17(21)19-18(20,11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21)
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n/an/a 1.61E+4n/an/an/an/an/an/a



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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226123
PNG
(1-(4-Chloro-benzyl)-2,2-dimethyl-2,3-dihydro-1H-qu...)
Show SMILES CC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O/c1-17(2)19-16(21)14-5-3-4-6-15(14)20(17)11-12-7-9-13(18)10-8-12/h3-10H,11H2,1-2H3,(H,19,21)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226125
PNG
(1-Benzyl-2-methyl-2-phenyl-2,3-dihydro-1H-quinazol...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-22(18-12-6-3-7-13-18)23-21(25)19-14-8-9-15-20(19)24(22)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H,23,25)
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University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226124
PNG
(1-Ethyl-2-methyl-2-phenyl-2,3-dihydro-1H-quinazoli...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)c1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-3-19-15-12-8-7-11-14(15)16(20)18-17(19,2)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3,(H,18,20)
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n/an/a 1.86E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226131
PNG
(1-(4-Chloro-benzyl)-2-ethyl-2-methyl-2,3-dihydro-1...)
Show SMILES CCC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O/c1-3-18(2)20-17(22)15-6-4-5-7-16(15)21(18)12-13-8-10-14(19)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,22)
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n/an/a 1.89E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226142
PNG
(1-(2-Chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl2N2O/c1-22(16-10-12-17(23)13-11-16)25-21(27)18-7-3-5-9-20(18)26(22)14-15-6-2-4-8-19(15)24/h2-13H,14H2,1H3,(H,25,27)
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n/an/a 1.93E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226127
PNG
(1-(4-Chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-22(17-7-3-2-4-8-17)24-21(26)19-9-5-6-10-20(19)25(22)15-16-11-13-18(23)14-12-16/h2-14H,15H2,1H3,(H,24,26)
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n/an/a 1.94E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226142
PNG
(1-(2-Chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl2N2O/c1-22(16-10-12-17(23)13-11-16)25-21(27)18-7-3-5-9-20(18)26(22)14-15-6-2-4-8-19(15)24/h2-13H,14H2,1H3,(H,25,27)
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n/an/a 1.96E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226126
PNG
(1-(2-Chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-22(17-10-3-2-4-11-17)24-21(26)18-12-6-8-14-20(18)25(22)15-16-9-5-7-13-19(16)23/h2-14H,15H2,1H3,(H,24,26)
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n/an/a 1.96E+4n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226127
PNG
(1-(4-Chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-22(17-7-3-2-4-8-17)24-21(26)19-9-5-6-10-20(19)25(22)15-16-11-13-18(23)14-12-16/h2-14H,15H2,1H3,(H,24,26)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226125
PNG
(1-Benzyl-2-methyl-2-phenyl-2,3-dihydro-1H-quinazol...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-22(18-12-6-3-7-13-18)23-21(25)19-14-8-9-15-20(19)24(22)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H,23,25)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226128
PNG
(1,2-Diethyl-2-methyl-2,3-dihydro-1H-quinazolin-4-o...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)CC
Show InChI InChI=1S/C13H18N2O/c1-4-13(3)14-12(16)10-8-6-7-9-11(10)15(13)5-2/h6-9H,4-5H2,1-3H3,(H,14,16)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226126
PNG
(1-(2-Chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-...)
Show SMILES CC1(NC(=O)c2ccccc2N1Cc1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-22(17-10-3-2-4-11-17)24-21(26)18-12-6-8-14-20(18)25(22)15-16-9-5-7-13-19(16)23/h2-14H,15H2,1H3,(H,24,26)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226121
PNG
(1-Benzyl-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-...)
Show SMILES CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-17(2)18-16(20)14-10-6-7-11-15(14)19(17)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,18,20)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226146
PNG
(1-(2-Chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydr...)
Show SMILES CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C20H23ClN2O/c1-14(2)12-20(3)22-19(24)16-9-5-7-11-18(16)23(20)13-15-8-4-6-10-17(15)21/h4-11,14H,12-13H2,1-3H3,(H,22,24)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226140
PNG
(2-(4-Chloro-phenyl)-1-ethyl-2-methyl-2,3-dihydro-1...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O/c1-3-20-15-7-5-4-6-14(15)16(21)19-17(20,2)12-8-10-13(18)11-9-12/h4-11H,3H2,1-2H3,(H,19,21)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226135
PNG
(1-(4-Chloro-benzyl)-2,2-diethyl-2,3-dihydro-1Hquin...)
Show SMILES CCC1(CC)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-3-19(4-2)21-18(23)16-7-5-6-8-17(16)22(19)13-14-9-11-15(20)12-10-14/h5-12H,3-4,13H2,1-2H3,(H,21,23)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226136
PNG
(1-Ethyl-2-methyl-2-propyl -2,3-dihydro-1Hquinazoli...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1CC
Show InChI InChI=1S/C14H20N2O/c1-4-10-14(3)15-13(17)11-8-6-7-9-12(11)16(14)5-2/h6-9H,4-5,10H2,1-3H3,(H,15,17)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226130
PNG
(1-(2-Chloro-benzyl)-2-ethyl-2-methyl-2,3-dihydro-1...)
Show SMILES CCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C18H19ClN2O/c1-3-18(2)20-17(22)14-9-5-7-11-16(14)21(18)12-13-8-4-6-10-15(13)19/h4-11H,3,12H2,1-2H3,(H,20,22)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226120
PNG
(1-Ethyl-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-o...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)C
Show InChI InChI=1S/C12H16N2O/c1-4-14-10-8-6-5-7-9(10)11(15)13-12(14,2)3/h5-8H,4H2,1-3H3,(H,13,15)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226129
PNG
(1-Benzyl-2-ethyl-2-methyl-2,3-dihydro-1H-quinazoli...)
Show SMILES CCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-3-18(2)19-17(21)15-11-7-8-12-16(15)20(18)13-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,19,21)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226132
PNG
(1,2,2-Triethyl-2,3-dihydro-1H-quinazolin-4-one (2m...)
Show SMILES CCN1c2ccccc2C(=O)NC1(CC)CC
Show InChI InChI=1S/C14H20N2O/c1-4-14(5-2)15-13(17)11-9-7-8-10-12(11)16(14)6-3/h7-10H,4-6H2,1-3H3,(H,15,17)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226148
PNG
(1-Ethyl-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4...)
Show SMILES CCN1c2ccccc2C(=O)NC1(CC(C)C)CC(C)C
Show InChI InChI=1S/C18H28N2O/c1-6-20-16-10-8-7-9-15(16)17(21)19-18(20,11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM226144
PNG
(1-Ethyl-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazo...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)CC(C)C
Show InChI InChI=1S/C15H22N2O/c1-5-17-13-9-7-6-8-12(13)14(18)16-15(17,4)10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,16,18)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226137
PNG
(1-Benzyl-2-methyl-2-propyl-2,3-dihydro-1H-quinazol...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-3-13-19(2)20-18(22)16-11-7-8-12-17(16)21(19)14-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,20,22)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226146
PNG
(1-(2-Chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydr...)
Show SMILES CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C20H23ClN2O/c1-14(2)12-20(3)22-19(24)16-9-5-7-11-18(16)23(20)13-15-8-4-6-10-17(15)21/h4-11,14H,12-13H2,1-3H3,(H,22,24)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226122
PNG
(1-(2-Chloro-benzyl)-2,2-dimethyl-2,3-dihydro-1H-qu...)
Show SMILES CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
Show InChI InChI=1S/C17H17ClN2O/c1-17(2)19-16(21)13-8-4-6-10-15(13)20(17)11-12-7-3-5-9-14(12)18/h3-10H,11H2,1-2H3,(H,19,21)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226124
PNG
(1-Ethyl-2-methyl-2-phenyl-2,3-dihydro-1H-quinazoli...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)c1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-3-19-15-12-8-7-11-14(15)16(20)18-17(19,2)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3,(H,18,20)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226120
PNG
(1-Ethyl-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-o...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)C
Show InChI InChI=1S/C12H16N2O/c1-4-14-10-8-6-5-7-9(10)11(15)13-12(14,2)3/h5-8H,4H2,1-3H3,(H,13,15)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226140
PNG
(2-(4-Chloro-phenyl)-1-ethyl-2-methyl-2,3-dihydro-1...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O/c1-3-20-15-7-5-4-6-14(15)16(21)19-17(20,2)12-8-10-13(18)11-9-12/h4-11H,3H2,1-2H3,(H,19,21)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226144
PNG
(1-Ethyl-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazo...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)CC(C)C
Show InChI InChI=1S/C15H22N2O/c1-5-17-13-9-7-6-8-12(13)14(18)16-15(17,4)10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,16,18)
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Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226128
PNG
(1,2-Diethyl-2-methyl-2,3-dihydro-1H-quinazolin-4-o...)
Show SMILES CCN1c2ccccc2C(=O)NC1(C)CC
Show InChI InChI=1S/C13H18N2O/c1-4-13(3)14-12(16)10-8-6-7-9-11(10)15(13)5-2/h6-9H,4-5H2,1-3H3,(H,14,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.07E+5n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226132
PNG
(1,2,2-Triethyl-2,3-dihydro-1H-quinazolin-4-one (2m...)
Show SMILES CCN1c2ccccc2C(=O)NC1(CC)CC
Show InChI InChI=1S/C14H20N2O/c1-4-14(5-2)15-13(17)11-9-7-8-10-12(11)16(14)6-3/h7-10H,4-6H2,1-3H3,(H,15,17)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.07E+5n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM226136
PNG
(1-Ethyl-2-methyl-2-propyl -2,3-dihydro-1Hquinazoli...)
Show SMILES CCCC1(C)NC(=O)c2ccccc2N1CC
Show InChI InChI=1S/C14H20N2O/c1-4-10-14(3)15-13(17)11-8-6-7-9-12(11)16(14)5-2/h6-9H,4-5,10H2,1-3H3,(H,15,17)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.26E+5n/an/an/an/an/an/a



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...


Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%