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PubMed code 21999604

Compile data set for download or QSAR
Found 43 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


(Homo sapiens (Human))		BDBM39340
PNG
(4-Amino-N-(pyrimidin-2-yl) benzenesulfonamide (Sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
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 348n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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 348n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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 374n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM60967
PNG
(Carbonic anhydrase inhibitors (CAIs), 5)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11-,12-,13-/m0/s1
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 470n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM60967
PNG
(Carbonic anhydrase inhibitors (CAIs), 5)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11-,12-,13-/m0/s1
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 590n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/m0/s1
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 820n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237281
PNG
(Carbonic anhydrase inhibitors (CAIs), 1)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
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 1.03E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM60967
PNG
(Carbonic anhydrase inhibitors (CAIs), 5)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11-,12-,13-/m0/s1
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 1.12E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM237284
PNG
(Carbonic anhydrase inhibitors (CAIs), 7)
Show SMILES O[C@H]1CCCC[C@H]1O |r|
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
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 1.19E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/m0/s1
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 1.75E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237284
PNG
(Carbonic anhydrase inhibitors (CAIs), 7)
Show SMILES O[C@H]1CCCC[C@H]1O |r|
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
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 1.84E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM237281
PNG
(Carbonic anhydrase inhibitors (CAIs), 1)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
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 2.43E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1
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 2.67E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1
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 3.72E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/m0/s1
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 3.78E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 4.28E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1
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 4.48E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 4.72E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM60967
PNG
(Carbonic anhydrase inhibitors (CAIs), 5)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11-,12-,13-/m0/s1
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 5.48E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/m0/s1
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 9.34E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM39340
PNG
(4-Amino-N-(pyrimidin-2-yl) benzenesulfonamide (Sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
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 1.17E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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 1.31E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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 1.35E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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 1.43E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237284
PNG
(Carbonic anhydrase inhibitors (CAIs), 7)
Show SMILES O[C@H]1CCCC[C@H]1O |r|
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
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 1.67E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237283
PNG
(Carbonic anhydrase inhibitors (CAIs), 4)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2C=CCC[C@@H]2OC1(C)C |r,c:13|
Show InChI InChI=1S/C16H21NO3S/c1-12-8-10-13(11-9-12)21(18,19)17-14-6-4-5-7-15(14)20-16(17,2)3/h4,6,8-11,14-15H,5,7H2,1-3H3/t14-,15+/m1/s1
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 2.17E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237284
PNG
(Carbonic anhydrase inhibitors (CAIs), 7)
Show SMILES O[C@H]1CCCC[C@H]1O |r|
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
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 2.17E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237281
PNG
(Carbonic anhydrase inhibitors (CAIs), 1)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
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 2.43E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM39340
PNG
(4-Amino-N-(pyrimidin-2-yl) benzenesulfonamide (Sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
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 2.62E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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 3.62E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237281
PNG
(Carbonic anhydrase inhibitors (CAIs), 1)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
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 5.01E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM237283
PNG
(Carbonic anhydrase inhibitors (CAIs), 4)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2C=CCC[C@@H]2OC1(C)C |r,c:13|
Show InChI InChI=1S/C16H21NO3S/c1-12-8-10-13(11-9-12)21(18,19)17-14-6-4-5-7-15(14)20-16(17,2)3/h4,6,8-11,14-15H,5,7H2,1-3H3/t14-,15+/m1/s1
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 5.74E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1
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 7.02E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 7.62E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM39340
PNG
(4-Amino-N-(pyrimidin-2-yl) benzenesulfonamide (Sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
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 9.32E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 1.35E+5n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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 2.11E+5n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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 2.63E+5n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237283
PNG
(Carbonic anhydrase inhibitors (CAIs), 4)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2C=CCC[C@@H]2OC1(C)C |r,c:13|
Show InChI InChI=1S/C16H21NO3S/c1-12-8-10-13(11-9-12)21(18,19)17-14-6-4-5-7-15(14)20-16(17,2)3/h4,6,8-11,14-15H,5,7H2,1-3H3/t14-,15+/m1/s1
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 2.75E+5n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237283
PNG
(Carbonic anhydrase inhibitors (CAIs), 4)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2C=CCC[C@@H]2OC1(C)C |r,c:13|
Show InChI InChI=1S/C16H21NO3S/c1-12-8-10-13(11-9-12)21(18,19)17-14-6-4-5-7-15(14)20-16(17,2)3/h4,6,8-11,14-15H,5,7H2,1-3H3/t14-,15+/m1/s1
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 3.79E+5n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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n/an/a 4.63E+3n/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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n/an/a 5.79E+3n/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))		BDBM50034172
PNG
(CHEMBL3359227)
Show SMILES C(COc1cc(nc(n1)-c1ccccc1)-c1ccccc1)CN1CCCC1
Show InChI InChI=1S/C23H25N3O/c1-3-10-19(11-4-1)21-18-22(27-17-9-16-26-14-7-8-15-26)25-23(24-21)20-12-5-2-6-13-20/h1-6,10-13,18H,7-9,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.67E+4n/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...

J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%