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PubMed code 12617904

Compile data set for download or QSAR
Found 46 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))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
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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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124183
PNG
(CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
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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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124183
PNG
(CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124181
PNG
((3aS,3bR,7aS,8aR)-N-(aminosulfonyl)-2,2,5,5-tetram...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-10(2)18-5-6-7(20-10)8-12(19-6,22-11(3,4)21-8)9(15)14-23(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7+,8-,12+/m0/s1
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68n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
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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70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124189
PNG
(CHEMBL354527 | [(3aS,3bR,7aS,8aS)-2,2,5,5-tetramet...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@@]2(COC(=O)NS(N)(=O)=O)O1
Show InChI InChI=1S/C13H22N2O9S/c1-11(2)20-5-7-8(22-11)9-13(21-7,24-12(3,4)23-9)6-19-10(16)15-25(14,17)18/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8+,9-,13-/m0/s1
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71n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124189
PNG
(CHEMBL354527 | [(3aS,3bR,7aS,8aS)-2,2,5,5-tetramet...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@@]2(COC(=O)NS(N)(=O)=O)O1
Show InChI InChI=1S/C13H22N2O9S/c1-11(2)20-5-7-8(22-11)9-13(21-7,24-12(3,4)23-9)6-19-10(16)15-25(14,17)18/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8+,9-,13-/m0/s1
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130n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(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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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
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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380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124183
PNG
(CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1
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420n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124181
PNG
((3aS,3bR,7aS,8aR)-N-(aminosulfonyl)-2,2,5,5-tetram...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-10(2)18-5-6-7(20-10)8-12(19-6,22-11(3,4)21-8)9(15)14-23(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7+,8-,12+/m0/s1
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425n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124181
PNG
((3aS,3bR,7aS,8aR)-N-(aminosulfonyl)-2,2,5,5-tetram...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-10(2)18-5-6-7(20-10)8-12(19-6,22-11(3,4)21-8)9(15)14-23(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7+,8-,12+/m0/s1
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750n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124189
PNG
(CHEMBL354527 | [(3aS,3bR,7aS,8aS)-2,2,5,5-tetramet...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@@]2(COC(=O)NS(N)(=O)=O)O1
Show InChI InChI=1S/C13H22N2O9S/c1-11(2)20-5-7-8(22-11)9-13(21-7,24-12(3,4)23-9)6-19-10(16)15-25(14,17)18/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8+,9-,13-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124184
PNG
(CHEMBL354981 | [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetra...)
Show SMILES CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-11(2)18-7-6(5-16-22(13,14)15)17-10-9(8(7)19-11)20-12(3,4)21-10/h6-10H,5H2,1-4H3,(H2,13,14,15)/t6-,7+,8+,9-,10-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124186
PNG
(2-{[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrah...)
Show SMILES CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-11(2)20-5-6(21-11)8-10(23-12(3,4)22-8)19-7(5)9(16)14-15-24(13,17)18/h5-8,10,15H,1-4H3,(H,14,16)(H2,13,17,18)/t5-,6+,7+,8-,10-/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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2.10E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124187
PNG
(2-{[(3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydr...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-10(2)19-5-6-7(21-10)8-12(20-6,23-11(3,4)22-8)9(16)14-15-24(13,17)18/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7+,8-,12+/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124185
PNG
((3aS,5R,5aS,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tet...)
Show SMILES CC1(C)O[C@@H]2O[C@H]([C@H]3OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-11(2)19-5-6(20-11)8-10(22-12(3,4)21-8)18-7(5)9(15)14-23(13,16)17/h5-8,10H,1-4H3,(H,14,15)(H2,13,16,17)/t5-,6+,7+,8-,10-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124184
PNG
(CHEMBL354981 | [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetra...)
Show SMILES CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-11(2)18-7-6(5-16-22(13,14)15)17-10-9(8(7)19-11)20-12(3,4)21-10/h6-10H,5H2,1-4H3,(H2,13,14,15)/t6-,7+,8+,9-,10-/m0/s1
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2.70E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124186
PNG
(2-{[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrah...)
Show SMILES CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-11(2)20-5-6(21-11)8-10(23-12(3,4)22-8)19-7(5)9(16)14-15-24(13,17)18/h5-8,10,15H,1-4H3,(H,14,16)(H2,13,17,18)/t5-,6+,7+,8-,10-/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124187
PNG
(2-{[(3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydr...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-10(2)19-5-6-7(21-10)8-12(20-6,23-11(3,4)22-8)9(16)14-15-24(13,17)18/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7+,8-,12+/m0/s1
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3.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26995
PNG
(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
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3.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124185
PNG
((3aS,5R,5aS,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tet...)
Show SMILES CC1(C)O[C@@H]2O[C@H]([C@H]3OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-11(2)19-5-6(20-11)8-10(22-12(3,4)21-8)18-7(5)9(15)14-23(13,16)17/h5-8,10H,1-4H3,(H,14,15)(H2,13,16,17)/t5-,6+,7+,8-,10-/m0/s1
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4.60E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM26995
PNG
(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
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8.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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9.70E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124185
PNG
((3aS,5R,5aS,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tet...)
Show SMILES CC1(C)O[C@@H]2O[C@H]([C@H]3OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-11(2)19-5-6(20-11)8-10(22-12(3,4)21-8)18-7(5)9(15)14-23(13,16)17/h5-8,10H,1-4H3,(H,14,15)(H2,13,16,17)/t5-,6+,7+,8-,10-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124188
PNG
((3aR,5aR,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tetram...)
Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-10(2)19-6-5-18-12(9(15)14-23(13,16)17)8(7(6)20-10)21-11(3,4)22-12/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7-,8+,12-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50124182
PNG
(2-{[(3aR,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydr...)
Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-10(2)20-6-5-19-12(9(16)14-15-24(13,17)18)8(7(6)21-10)22-11(3,4)23-12/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7-,8+,12-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124182
PNG
(2-{[(3aR,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydr...)
Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-10(2)20-6-5-19-12(9(16)14-15-24(13,17)18)8(7(6)21-10)22-11(3,4)23-12/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7-,8+,12-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124188
PNG
((3aR,5aR,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tetram...)
Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-10(2)19-6-5-18-12(9(15)14-23(13,16)17)8(7(6)20-10)21-11(3,4)22-12/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7-,8+,12-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124186
PNG
(2-{[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrah...)
Show SMILES CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-11(2)20-5-6(21-11)8-10(23-12(3,4)22-8)19-7(5)9(16)14-15-24(13,17)18/h5-8,10,15H,1-4H3,(H,14,16)(H2,13,17,18)/t5-,6+,7+,8-,10-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124182
PNG
(2-{[(3aR,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydr...)
Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-10(2)20-6-5-19-12(9(16)14-15-24(13,17)18)8(7(6)21-10)22-11(3,4)23-12/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7-,8+,12-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50124188
PNG
((3aR,5aR,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tetram...)
Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O
Show InChI InChI=1S/C12H20N2O8S/c1-10(2)19-6-5-18-12(9(15)14-23(13,16)17)8(7(6)20-10)21-11(3,4)22-12/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7-,8+,12-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124184
PNG
(CHEMBL354981 | [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetra...)
Show SMILES CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-11(2)18-7-6(5-16-22(13,14)15)17-10-9(8(7)19-11)20-12(3,4)21-10/h6-10H,5H2,1-4H3,(H2,13,14,15)/t6-,7+,8+,9-,10-/m0/s1
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4.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50124187
PNG
(2-{[(3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydr...)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NNS(N)(=O)=O
Show InChI InChI=1S/C12H21N3O8S/c1-10(2)19-5-6-7(21-10)8-12(20-6,23-11(3,4)22-8)9(16)14-15-24(13,17)18/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7+,8-,12+/m0/s1
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4.20E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 13: 841-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00029-5
BindingDB Entry DOI: 10.7270/Q2BK1CW5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%