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PubMed code 22380775

Compile data set for download or QSAR
Found 28 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))		BDBM240807
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CCN1CCCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H25N5O2/c30-22(10-13-29-11-4-1-5-12-29)25-17-8-9-20-18(15-17)24(31)28-23(27-20)21-14-16-6-2-3-7-19(16)26-21/h2-3,6-9,14-15,26H,1,4-5,10-13H2,(H,25,30)(H,27,28,31)
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n/an/a 21.0n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 30.0n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240806
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H23N5O2/c29-21(9-12-28-10-3-4-11-28)24-16-7-8-19-17(14-16)23(30)27-22(26-19)20-13-15-5-1-2-6-18(15)25-20/h1-2,5-8,13-14,25H,3-4,9-12H2,(H,24,29)(H,26,27,30)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240802
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CN1CCCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H23N5O2/c29-21(14-28-10-4-1-5-11-28)24-16-8-9-19-17(13-16)23(30)27-22(26-19)20-12-15-6-2-3-7-18(15)25-20/h2-3,6-9,12-13,25H,1,4-5,10-11,14H2,(H,24,29)(H,26,27,30)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 223n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240805
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CCN(CC)CCC(=O)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H25N5O2/c1-3-28(4-2)12-11-21(29)24-16-9-10-19-17(14-16)23(30)27-22(26-19)20-13-15-7-5-6-8-18(15)25-20/h5-10,13-14,25H,3-4,11-12H2,1-2H3,(H,24,29)(H,26,27,30)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240801
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H21N5O2/c28-20(13-27-9-3-4-10-27)23-15-7-8-18-16(12-15)22(29)26-21(25-18)19-11-14-5-1-2-6-17(14)24-19/h1-2,5-8,11-12,24H,3-4,9-10,13H2,(H,23,28)(H,25,26,29)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240806
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H23N5O2/c29-21(9-12-28-10-3-4-11-28)24-16-7-8-19-17(14-16)23(30)27-22(26-19)20-13-15-5-1-2-6-18(15)25-20/h1-2,5-8,13-14,25H,3-4,9-12H2,(H,24,29)(H,26,27,30)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240800
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CCN(CC)CC(=O)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H23N5O2/c1-3-27(4-2)13-20(28)23-15-9-10-18-16(12-15)22(29)26-21(25-18)19-11-14-7-5-6-8-17(14)24-19/h5-12,24H,3-4,13H2,1-2H3,(H,23,28)(H,25,26,29)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240808
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H23N5O3/c29-21(7-8-28-9-11-31-12-10-28)24-16-5-6-19-17(14-16)23(30)27-22(26-19)20-13-15-3-1-2-4-18(15)25-20/h1-6,13-14,25H,7-12H2,(H,24,29)(H,26,27,30)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240803
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CN1CCOCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H21N5O3/c28-20(13-27-7-9-30-10-8-27)23-15-5-6-18-16(12-15)22(29)26-21(25-18)19-11-14-3-1-2-4-17(14)24-19/h1-6,11-12,24H,7-10,13H2,(H,23,28)(H,25,26,29)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240805
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CCN(CC)CCC(=O)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H25N5O2/c1-3-28(4-2)12-11-21(29)24-16-9-10-19-17(14-16)23(30)27-22(26-19)20-13-15-7-5-6-8-18(15)25-20/h5-10,13-14,25H,3-4,11-12H2,1-2H3,(H,24,29)(H,26,27,30)
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n/an/a 2.43E+3n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240801
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H21N5O2/c28-20(13-27-9-3-4-10-27)23-15-7-8-18-16(12-15)22(29)26-21(25-18)19-11-14-5-1-2-6-17(14)24-19/h1-2,5-8,11-12,24H,3-4,9-10,13H2,(H,23,28)(H,25,26,29)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240807
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CCN1CCCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H25N5O2/c30-22(10-13-29-11-4-1-5-12-29)25-17-8-9-20-18(15-17)24(31)28-23(27-20)21-14-16-6-2-3-7-19(16)26-21/h2-3,6-9,14-15,26H,1,4-5,10-13H2,(H,25,30)(H,27,28,31)
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Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240799
PNG
(2-(2-Indolyl-)-4(3H)-quinazolines (2IQ))
Show SMILES O=c1[nH]c(nc2ccccc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H11N3O/c20-16-11-6-2-4-8-13(11)18-15(19-16)14-9-10-5-1-3-7-12(10)17-14/h1-9,17H,(H,18,19,20)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240799
PNG
(2-(2-Indolyl-)-4(3H)-quinazolines (2IQ))
Show SMILES O=c1[nH]c(nc2ccccc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H11N3O/c20-16-11-6-2-4-8-13(11)18-15(19-16)14-9-10-5-1-3-7-12(10)17-14/h1-9,17H,(H,18,19,20)
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Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240810
PNG
(N1-(2-(1H-indol-2-yl)quinazolin-4-yl)-N3,N3-dimeth...)
Show SMILES CN(C)CCCNc1nc(nc2ccccc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H23N5/c1-26(2)13-7-12-22-20-16-9-4-6-11-18(16)24-21(25-20)19-14-15-8-3-5-10-17(15)23-19/h3-6,8-11,14,23H,7,12-13H2,1-2H3,(H,22,24,25)
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Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240804
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CN1CCN(CC(=O)Nc2ccc3nc([nH]c(=O)c3c2)-c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C23H24N6O2/c1-28-8-10-29(11-9-28)14-21(30)24-16-6-7-19-17(13-16)23(31)27-22(26-19)20-12-15-4-2-3-5-18(15)25-20/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,30)(H,26,27,31)
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Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240804
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CN1CCN(CC(=O)Nc2ccc3nc([nH]c(=O)c3c2)-c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C23H24N6O2/c1-28-8-10-29(11-9-28)14-21(30)24-16-6-7-19-17(13-16)23(31)27-22(26-19)20-12-15-4-2-3-5-18(15)25-20/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,30)(H,26,27,31)
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n/an/a>1.00E+4n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240811
PNG
(N1-(2-(1H-indol-2-yl)quinazolin-4-yl)-N3,N3-diethy...)
Show SMILES CCN(CC)CCCNc1nc(nc2ccccc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H27N5/c1-3-28(4-2)15-9-14-24-22-18-11-6-8-13-20(18)26-23(27-22)21-16-17-10-5-7-12-19(17)25-21/h5-8,10-13,16,25H,3-4,9,14-15H2,1-2H3,(H,24,26,27)
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n/an/a>1.00E+4n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240811
PNG
(N1-(2-(1H-indol-2-yl)quinazolin-4-yl)-N3,N3-diethy...)
Show SMILES CCN(CC)CCCNc1nc(nc2ccccc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H27N5/c1-3-28(4-2)15-9-14-24-22-18-11-6-8-13-20(18)26-23(27-22)21-16-17-10-5-7-12-19(17)25-21/h5-8,10-13,16,25H,3-4,9,14-15H2,1-2H3,(H,24,26,27)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240809
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3nc([nH]c(=O)c3c2)-c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H26N6O2/c1-29-10-12-30(13-11-29)9-8-22(31)25-17-6-7-20-18(15-17)24(32)28-23(27-20)21-14-16-4-2-3-5-19(16)26-21/h2-7,14-15,26H,8-13H2,1H3,(H,25,31)(H,27,28,32)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240810
PNG
(N1-(2-(1H-indol-2-yl)quinazolin-4-yl)-N3,N3-dimeth...)
Show SMILES CN(C)CCCNc1nc(nc2ccccc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H23N5/c1-26(2)13-7-12-22-20-16-9-4-6-11-18(16)24-21(25-20)19-14-15-8-3-5-10-17(15)23-19/h3-6,8-11,14,23H,7,12-13H2,1-2H3,(H,22,24,25)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240809
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3nc([nH]c(=O)c3c2)-c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H26N6O2/c1-29-10-12-30(13-11-29)9-8-22(31)25-17-6-7-20-18(15-17)24(32)28-23(27-20)21-14-16-4-2-3-5-19(16)26-21/h2-7,14-15,26H,8-13H2,1H3,(H,25,31)(H,27,28,32)
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Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240802
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CN1CCCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H23N5O2/c29-21(14-28-10-4-1-5-11-28)24-16-8-9-19-17(13-16)23(30)27-22(26-19)20-12-15-6-2-3-7-18(15)25-20/h2-3,6-9,12-13,25H,1,4-5,10-11,14H2,(H,24,29)(H,26,27,30)
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n/an/a 1.02E+4n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240800
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES CCN(CC)CC(=O)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H23N5O2/c1-3-27(4-2)13-20(28)23-15-9-10-18-16(12-15)22(29)26-21(25-18)19-11-14-7-5-6-8-17(14)24-19/h5-12,24H,3-4,13H2,1-2H3,(H,23,28)(H,25,26,29)
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n/an/a 1.48E+4n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240803
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CN1CCOCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H21N5O3/c28-20(13-27-7-9-30-10-8-27)23-15-5-6-18-16(12-15)22(29)26-21(25-18)19-11-14-3-1-2-4-17(14)24-19/h1-6,11-12,24H,7-10,13H2,(H,23,28)(H,25,26,29)
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n/an/a 3.22E+4n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM240808
PNG
(N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H23N5O3/c29-21(7-8-28-9-11-31-12-10-28)24-16-5-6-19-17(14-16)23(30)27-22(26-19)20-13-15-3-1-2-4-18(15)25-20/h1-6,13-14,25H,7-12H2,(H,24,29)(H,26,27,30)
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n/an/a 5.16E+4n/an/an/an/a8.0n/a



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...

J Enzyme Inhib Med Chem 28: 583-92 (2013)


Article DOI: 10.3109/14756366.2012.663363
BindingDB Entry DOI: 10.7270/Q28914SJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%