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PubMed code 22188522

Compile data set for download or QSAR
Found 45 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))		BDBM237302
PNG
(4-Methyl-N-(2-nitrophenyl) benzenesulfonamide (7))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-6-8-11(9-7-10)20(18,19)14-12-4-2-3-5-13(12)15(16)17/h2-9,14H,1H3
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n/an/a 103n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237304
PNG
(N-(4-cyanophenyl)-4-methylbenzenesulfonamide (10))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-2-8-14(9-3-11)19(17,18)16-13-6-4-12(10-15)5-7-13/h2-9,16H,1H3
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n/an/a 120n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237305
PNG
(4-Methyl-N-(4-nitrophenyl) benzenesulfonamide (11))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3
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n/an/a 139n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237301
PNG
(N-(2-cyanophenyl)-4-methylbenzenesulfonamide (6))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-14-5-3-2-4-12(14)10-15/h2-9,16H,1H3
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n/an/a 213n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
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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n/an/a 276n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 340n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50166571
PNG
(2-sulfanilamidopyrimidine | 2-sulfanilylaminopyrim...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
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n/an/a 341n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 370n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237300
PNG
(4-Methyl-N-o-tolyl-benzenesulfonamide (5))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C
Show InChI InChI=1S/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
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n/an/a 407n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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n/an/a 425n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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n/an/a 612n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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n/an/a 628n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/a 715n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM237303
PNG
(N-(4-ethylphenyl)-4-methylbenzenesulfonamide (9))
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C15H17NO2S/c1-3-13-6-8-14(9-7-13)16-19(17,18)15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3
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n/an/a 977n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 1.02E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237305
PNG
(4-Methyl-N-(4-nitrophenyl) benzenesulfonamide (11))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237305
PNG
(4-Methyl-N-(4-nitrophenyl) benzenesulfonamide (11))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237304
PNG
(N-(4-cyanophenyl)-4-methylbenzenesulfonamide (10))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-2-8-14(9-3-11)19(17,18)16-13-6-4-12(10-15)5-7-13/h2-9,16H,1H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237304
PNG
(N-(4-cyanophenyl)-4-methylbenzenesulfonamide (10))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-2-8-14(9-3-11)19(17,18)16-13-6-4-12(10-15)5-7-13/h2-9,16H,1H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237302
PNG
(4-Methyl-N-(2-nitrophenyl) benzenesulfonamide (7))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-6-8-11(9-7-10)20(18,19)14-12-4-2-3-5-13(12)15(16)17/h2-9,14H,1H3
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n/an/a 4.71E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237302
PNG
(4-Methyl-N-(2-nitrophenyl) benzenesulfonamide (7))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-6-8-11(9-7-10)20(18,19)14-12-4-2-3-5-13(12)15(16)17/h2-9,14H,1H3
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n/an/a 5.38E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237301
PNG
(N-(2-cyanophenyl)-4-methylbenzenesulfonamide (6))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-14-5-3-2-4-12(14)10-15/h2-9,16H,1H3
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n/an/a 8.43E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM50166571
PNG
(2-sulfanilamidopyrimidine | 2-sulfanilylaminopyrim...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 1.34E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 1.43E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 1.55E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237301
PNG
(N-(2-cyanophenyl)-4-methylbenzenesulfonamide (6))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-14-5-3-2-4-12(14)10-15/h2-9,16H,1H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/a 2.21E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 2.43E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50166571
PNG
(2-sulfanilamidopyrimidine | 2-sulfanilylaminopyrim...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237303
PNG
(N-(4-ethylphenyl)-4-methylbenzenesulfonamide (9))
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C15H17NO2S/c1-3-13-6-8-14(9-7-13)16-19(17,18)15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3
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n/an/a 2.65E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 2.84E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237300
PNG
(4-Methyl-N-o-tolyl-benzenesulfonamide (5))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C
Show InChI InChI=1S/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
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n/an/a 2.96E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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n/an/a 3.22E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 3.62E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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n/an/a 4.24E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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n/an/a 4.29E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
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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n/an/a 5.00E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237300
PNG
(4-Methyl-N-o-tolyl-benzenesulfonamide (5))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C
Show InChI InChI=1S/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
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n/an/a 1.48E+5n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
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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n/an/a 2.10E+5n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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n/an/a 2.49E+5n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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n/an/a 3.22E+5n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM237303
PNG
(N-(4-ethylphenyl)-4-methylbenzenesulfonamide (9))
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C15H17NO2S/c1-3-13-6-8-14(9-7-13)16-19(17,18)15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3
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n/an/a 4.48E+5n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%