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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'akram' and Initial = 'ms'   
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/a8.030



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/a8.030



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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n/an/a 800n/an/an/an/a8.030



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/a8.030



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/a8.030



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
Carboxylic ester hydrolase


(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/a8.030



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))		BDBM222161
PNG
(6,8-dibromo-2-(3-bromo-4-chloro-phenyl)-2-methyl-2...)
Show SMILES CC1(NC(=O)c2cc(Br)cc(Br)c2N1)c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H10Br3ClN2O/c1-15(7-2-3-12(19)10(17)4-7)20-13-9(14(22)21-15)5-8(16)6-11(13)18/h2-6,20H,1H3,(H,21,22)
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n/an/a 1.60E+3n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
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/a8.030



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/a8.030



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/a8.030



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/a8.030



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
Carboxylic ester hydrolase


(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/a8.030



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))		BDBM222163
PNG
(6,8-dibromo-2,2-bis(2-methylpropyl)-2,3-dihydroqui...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2cc(Br)cc(Br)c2N1
Show InChI InChI=1S/C16H22Br2N2O/c1-9(2)7-16(8-10(3)4)19-14-12(15(21)20-16)5-11(17)6-13(14)18/h5-6,9-10,19H,7-8H2,1-4H3,(H,20,21)
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n/an/a 2.50E+3n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM222157
PNG
(6,8-dibromo-2-methyl-2-phenyl-2,3-dihydroquinazoli...)
Show SMILES CC1(NC(=O)c2cc(Br)cc(Br)c2N1)c1ccccc1
Show InChI InChI=1S/C15H12Br2N2O/c1-15(9-5-3-2-4-6-9)18-13-11(14(20)19-15)7-10(16)8-12(13)17/h2-8,18H,1H3,(H,19,20)
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n/an/a 3.50E+3n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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/a8.030



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
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM222161
PNG
(6,8-dibromo-2-(3-bromo-4-chloro-phenyl)-2-methyl-2...)
Show SMILES CC1(NC(=O)c2cc(Br)cc(Br)c2N1)c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H10Br3ClN2O/c1-15(7-2-3-12(19)10(17)4-7)20-13-9(14(22)21-15)5-8(16)6-11(13)18/h2-6,20H,1H3,(H,21,22)
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n/an/a 3.70E+3n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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/a8.030



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))		BDBM222153
PNG
(2-methyl-2-(4-methylphenyl)-6,8-dinitro-1,2,3,4-te...)
Show SMILES Cc1ccc(cc1)C1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H14N4O5/c1-9-3-5-10(6-4-9)16(2)17-14-12(15(21)18-16)7-11(19(22)23)8-13(14)20(24)25/h3-8,17H,1-2H3,(H,18,21)
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n/an/a 3.80E+3n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
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/a8.030



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))		BDBM222155
PNG
(6,8-dinitro-2,2-bis(2-methylpropyl)-2,3-dihydroqui...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H22N4O5/c1-9(2)7-16(8-10(3)4)17-14-12(15(21)18-16)5-11(19(22)23)6-13(14)20(24)25/h5-6,9-10,17H,7-8H2,1-4H3,(H,18,21)
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n/an/a 3.90E+3n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
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 |r,c:12|
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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Article
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n/an/a 4.00E+3n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
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 |r,c:12|
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/a8.030



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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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
Carboxylic ester hydrolase


(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/a8.030



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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
Carboxylic ester hydrolase


(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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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
Carboxylic ester hydrolase


(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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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))		BDBM222154
PNG
(6,8-dinitro-2-methyl-2-(2-methylpropyl)-2,3-dihydr...)
Show SMILES CC(C)CC1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C13H16N4O5/c1-7(2)6-13(3)14-11-9(12(18)15-13)4-8(16(19)20)5-10(11)17(21)22/h4-5,7,14H,6H2,1-3H3,(H,15,18)
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University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM222155
PNG
(6,8-dinitro-2,2-bis(2-methylpropyl)-2,3-dihydroqui...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H22N4O5/c1-9(2)7-16(8-10(3)4)17-14-12(15(21)18-16)5-11(19(22)23)6-13(14)20(24)25/h5-6,9-10,17H,7-8H2,1-4H3,(H,18,21)
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Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
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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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))		BDBM222160
PNG
(6,8-dibromo-2-methyl-2-propyl-2,3-dihydroquinazoli...)
Show SMILES CCCC1(C)NC(=O)c2cc(Br)cc(Br)c2N1
Show InChI InChI=1S/C12H14Br2N2O/c1-3-4-12(2)15-10-8(11(17)16-12)5-7(13)6-9(10)14/h5-6,15H,3-4H2,1-2H3,(H,16,17)
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University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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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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))		BDBM222149
PNG
(2-methyl-6,8-dinitro-2-(3-nitro-phenyl)-2,3-dihydr...)
Show SMILES CC1(NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O7/c1-15(8-3-2-4-9(5-8)18(22)23)16-13-11(14(21)17-15)6-10(19(24)25)7-12(13)20(26)27/h2-7,16H,1H3,(H,17,21)
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University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
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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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
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM222157
PNG
(6,8-dibromo-2-methyl-2-phenyl-2,3-dihydroquinazoli...)
Show SMILES CC1(NC(=O)c2cc(Br)cc(Br)c2N1)c1ccccc1
Show InChI InChI=1S/C15H12Br2N2O/c1-15(9-5-3-2-4-6-9)18-13-11(14(20)19-15)7-10(16)8-12(13)17/h2-8,18H,1H3,(H,19,20)
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Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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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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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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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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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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))		BDBM222145
PNG
(2-(4-chlorophenyl)-2-methyl-2,3-dihydroquinazolin-...)
Show SMILES CC1(NC(=O)c2ccccc2N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN2O/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14(19)18-15/h2-9,17H,1H3,(H,18,19)
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Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM222149
PNG
(2-methyl-6,8-dinitro-2-(3-nitro-phenyl)-2,3-dihydr...)
Show SMILES CC1(NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O7/c1-15(8-3-2-4-9(5-8)18(22)23)16-13-11(14(21)17-15)6-10(19(24)25)7-12(13)20(26)27/h2-7,16H,1H3,(H,17,21)
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Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM222153
PNG
(2-methyl-2-(4-methylphenyl)-6,8-dinitro-1,2,3,4-te...)
Show SMILES Cc1ccc(cc1)C1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H14N4O5/c1-9-3-5-10(6-4-9)16(2)17-14-12(15(21)18-16)7-11(19(22)23)8-13(14)20(24)25/h3-8,17H,1-2H3,(H,18,21)
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Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM222147
PNG
(2,2-bis(2-methylpropyl)-2,3-dihydroquinazolin-4(1H...)
Show SMILES CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H24N2O/c1-11(2)9-16(10-12(3)4)17-14-8-6-5-7-13(14)15(19)18-16/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,19)
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University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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)
PDB
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UniChem
n/an/a 1.06E+4n/an/an/an/a8.030



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
Carboxylic ester hydrolase


(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)
PDB
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UniChem
n/an/a 1.10E+4n/an/an/an/a8.030



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))		BDBM222162
PNG
(6,8-dibromo-2-methyl-2-(2-methylpropyl)-2,3-dihydr...)
Show SMILES CC(C)CC1(C)NC(=O)c2cc(Br)cc(Br)c2N1
Show InChI InChI=1S/C13H16Br2N2O/c1-7(2)6-13(3)16-11-9(12(18)17-13)4-8(14)5-10(11)15/h4-5,7,16H,6H2,1-3H3,(H,17,18)
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.12E+4n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM222145
PNG
(2-(4-chlorophenyl)-2-methyl-2,3-dihydroquinazolin-...)
Show SMILES CC1(NC(=O)c2ccccc2N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN2O/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14(19)18-15/h2-9,17H,1H3,(H,18,19)
PDB
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UniChem
Article
PubMed
n/an/a 1.12E+4n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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)
PDB
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UniChem
n/an/a 1.15E+4n/an/an/an/a8.030



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)
UniProtKB/SwissProt

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UniChem
n/an/a 1.18E+4n/an/an/an/a8.030



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))		BDBM222152
PNG
(6,8-dinitro-2-methyl-2-propyl-2,3-dihydroquinazoli...)
Show SMILES CCCC1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C12H14N4O5/c1-3-4-12(2)13-10-8(11(17)14-12)5-7(15(18)19)6-9(10)16(20)21/h5-6,13H,3-4H2,1-2H3,(H,14,17)
UniProtKB/SwissProt

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UniChem
Article
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n/an/a 1.21E+4n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM222154
PNG
(6,8-dinitro-2-methyl-2-(2-methylpropyl)-2,3-dihydr...)
Show SMILES CC(C)CC1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C13H16N4O5/c1-7(2)6-13(3)14-11-9(12(18)15-13)4-8(16(19)20)5-10(11)17(21)22/h4-5,7,14H,6H2,1-3H3,(H,15,18)
PDB
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UniChem
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n/an/a 1.22E+4n/an/an/an/a8.0n/a



University of Sargodha



Assay Description
Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...

Bioorg Chem 70: 237-244 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.004
BindingDB Entry DOI: 10.7270/Q2M0448Z
More data for this
Ligand-Target Pair
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