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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50016793   
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 9


(Homo sapiens (human))
BDBM50173870
PNG
(3-Benzyloxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-be...)
Show SMILES NS(=O)(=O)c1ccc2C(CS(=O)(=O)c2c1)OCc1ccccc1
Show InChI InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)
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2.80n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173865
PNG
(3-Butoxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo...)
Show SMILES CCCCOC1CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C12H17NO5S2/c1-2-3-6-18-11-8-19(14,15)12-7-9(20(13,16)17)4-5-10(11)12/h4-5,7,11H,2-3,6,8H2,1H3,(H2,13,16,17)
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3.10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173865
PNG
(3-Butoxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo...)
Show SMILES CCCCOC1CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C12H17NO5S2/c1-2-3-6-18-11-8-19(14,15)12-7-9(20(13,16)17)4-5-10(11)12/h4-5,7,11H,2-3,6,8H2,1H3,(H2,13,16,17)
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6.30n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173871
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...)
Show SMILES NS(=O)(=O)c1ccc2c(C=CS2(=O)=O)c1
Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-1-2-8-6(5-7)3-4-14(8,10)11/h1-5H,(H2,9,12,13)
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7.40n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173862
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES NS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)
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7.5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173870
PNG
(3-Benzyloxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-be...)
Show SMILES NS(=O)(=O)c1ccc2C(CS(=O)(=O)c2c1)OCc1ccccc1
Show InChI InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)
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7.90n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173867
PNG
(3-Methyl-1,1-dioxo-1H-1lambda*6*-benzo[b]thiophene...)
Show SMILES CC1=CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C9H9NO4S2/c1-6-5-15(11,12)9-4-7(16(10,13)14)2-3-8(6)9/h2-5H,1H3,(H2,10,13,14)
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8.30n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173864
PNG
(1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...)
Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
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8.80n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173864
PNG
(1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...)
Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
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10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
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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12n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173871
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...)
Show SMILES NS(=O)(=O)c1ccc2c(C=CS2(=O)=O)c1
Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-1-2-8-6(5-7)3-4-14(8,10)11/h1-5H,(H2,9,12,13)
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13n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173867
PNG
(3-Methyl-1,1-dioxo-1H-1lambda*6*-benzo[b]thiophene...)
Show SMILES CC1=CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C9H9NO4S2/c1-6-5-15(11,12)9-4-7(16(10,13)14)2-3-8(6)9/h2-5H,1H3,(H2,10,13,14)
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13n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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14n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173862
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES NS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)
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15n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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24n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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25n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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25n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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27n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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31n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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34n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173862
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES NS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)
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63n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173864
PNG
(1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...)
Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
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72n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173871
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...)
Show SMILES NS(=O)(=O)c1ccc2c(C=CS2(=O)=O)c1
Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-1-2-8-6(5-7)3-4-14(8,10)11/h1-5H,(H2,9,12,13)
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75n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173869
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES O=S(=O)(NCC1CC1)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C12H13NO4S2/c14-18(15)6-5-10-3-4-11(7-12(10)18)19(16,17)13-8-9-1-2-9/h3-7,9,13H,1-2,8H2
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76n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173867
PNG
(3-Methyl-1,1-dioxo-1H-1lambda*6*-benzo[b]thiophene...)
Show SMILES CC1=CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C9H9NO4S2/c1-6-5-15(11,12)9-4-7(16(10,13)14)2-3-8(6)9/h2-5H,1H3,(H2,10,13,14)
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85n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173865
PNG
(3-Butoxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo...)
Show SMILES CCCCOC1CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C12H17NO5S2/c1-2-3-6-18-11-8-19(14,15)12-7-9(20(13,16)17)4-5-10(11)12/h4-5,7,11H,2-3,6,8H2,1H3,(H2,13,16,17)
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104n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173870
PNG
(3-Benzyloxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-be...)
Show SMILES NS(=O)(=O)c1ccc2C(CS(=O)(=O)c2c1)OCc1ccccc1
Show InChI InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)
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138n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173868
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES CCNS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C10H11NO4S2/c1-2-11-17(14,15)9-4-3-8-5-6-16(12,13)10(8)7-9/h3-7,11H,2H2,1H3
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362n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173868
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES CCNS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C10H11NO4S2/c1-2-11-17(14,15)9-4-3-8-5-6-16(12,13)10(8)7-9/h3-7,11H,2H2,1H3
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436n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173869
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES O=S(=O)(NCC1CC1)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C12H13NO4S2/c14-18(15)6-5-10-3-4-11(7-12(10)18)19(16,17)13-8-9-1-2-9/h3-7,9,13H,1-2,8H2
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475n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173869
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES O=S(=O)(NCC1CC1)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C12H13NO4S2/c14-18(15)6-5-10-3-4-11(7-12(10)18)19(16,17)13-8-9-1-2-9/h3-7,9,13H,1-2,8H2
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493n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173868
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES CCNS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C10H11NO4S2/c1-2-11-17(14,15)9-4-3-8-5-6-16(12,13)10(8)7-9/h3-7,11H,2H2,1H3
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530n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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780n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
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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900n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173866
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...)
Show SMILES COc1cccc(NS(=O)(=O)c2ccc3c(C=CS3(=O)=O)c2)c1
Show InChI InChI=1S/C15H13NO5S2/c1-21-13-4-2-3-12(10-13)16-23(19,20)14-5-6-15-11(9-14)7-8-22(15,17)18/h2-10,16H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173866
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...)
Show SMILES COc1cccc(NS(=O)(=O)c2ccc3c(C=CS3(=O)=O)c2)c1
Show InChI InChI=1S/C15H13NO5S2/c1-21-13-4-2-3-12(10-13)16-23(19,20)14-5-6-15-11(9-14)7-8-22(15,17)18/h2-10,16H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173866
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...)
Show SMILES COc1cccc(NS(=O)(=O)c2ccc3c(C=CS3(=O)=O)c2)c1
Show InChI InChI=1S/C15H13NO5S2/c1-21-13-4-2-3-12(10-13)16-23(19,20)14-5-6-15-11(9-14)7-8-22(15,17)18/h2-10,16H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50173863
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES O=S(=O)(NCc1ccccc1)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C15H13NO4S2/c17-21(18)9-8-13-6-7-14(10-15(13)21)22(19,20)16-11-12-4-2-1-3-5-12/h1-10,16H,11H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50173863
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES O=S(=O)(NCc1ccccc1)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C15H13NO4S2/c17-21(18)9-8-13-6-7-14(10-15(13)21)22(19,20)16-11-12-4-2-1-3-5-12/h1-10,16H,11H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50173863
PNG
(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...)
Show SMILES O=S(=O)(NCc1ccccc1)c1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C15H13NO4S2/c17-21(18)9-8-13-6-7-14(10-15(13)21)22(19,20)16-11-12-4-2-1-3-5-12/h1-10,16H,11H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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1.20E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair