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PubMed code 28390994

Compile data set for download or QSAR
Found 15 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
Carbonic anhydrase 2


(Bos taurus)
BDBM222435
PNG
(N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...)
Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+
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1.78E+3n/an/an/an/an/an/a7.4n/a



University of Karachi; Government College University Faisalabad



Assay Description
Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222429
PNG
(N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...)
Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+
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1.81E+3n/an/an/an/an/an/a7.4n/a



University of Karachi; Government College University Faisalabad



Assay Description
Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222428
PNG
(N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+
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2.35E+3n/an/an/an/an/an/a7.4n/a



University of Karachi; Government College University Faisalabad



Assay Description
Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222431
PNG
(N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...)
Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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2.52E+3n/an/an/an/an/an/a7.4n/a



University of Karachi; Government College University Faisalabad



Assay Description
Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222430
PNG
(N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+
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3.58E+3n/an/an/an/an/an/a7.4n/a



University of Karachi; Government College University Faisalabad



Assay Description
Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222433
PNG
(N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...)
Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl
Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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4.12E+3n/an/an/an/an/an/a7.4n/a



University of Karachi; Government College University Faisalabad



Assay Description
Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222428
PNG
(N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+
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n/an/a 1.33E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222430
PNG
(N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+
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n/an/a 1.37E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222435
PNG
(N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...)
Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+
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n/an/a 1.46E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222429
PNG
(N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...)
Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+
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n/an/a 1.85E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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Article
PubMed
n/an/a 1.86E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222431
PNG
(N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...)
Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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n/an/a 2.32E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222433
PNG
(N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...)
Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl
Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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n/an/a 2.33E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222434
PNG
(N'',N'''-Bis[(E)-(2,4-dichlorophenyl)methylide...)
Show SMILES Clc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-9(13(18)5-11)7-20-22-15(24)23-21-8-10-2-4-12(17)6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+
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n/an/a 2.67E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM222432
PNG
(N'',N'''-Bis[(E)-(2-bromophenyl)methylidene]ca...)
Show SMILES Brc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Br
Show InChI InChI=1S/C15H12Br2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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n/an/a 3.96E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
BindingDB Entry DOI: 10.7270/Q2125RHB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%