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PubMed code 21314129

Compile data set for download or QSAR
Found 76 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 12


(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 |r|
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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3.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
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 |r|
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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339446
PNG
(6-Sulfamoyl-alpha,beta-D-glucopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6?/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339445
PNG
(6-Sulfamoyl-alpha,beta-D-galactopyranose | CHEMBL1...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6?/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339447
PNG
(CHEMBL1688312 | Methyl 2,3,4-Tri-O-acetyl-6-sulfam...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C13H21NO11S/c1-6(15)22-10-9(5-21-26(14,18)19)25-13(20-4)12(24-8(3)17)11(10)23-7(2)16/h9-13H,5H2,1-4H3,(H2,14,18,19)/t9-,10-,11+,12-,13+/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339449
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13+,14-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339447
PNG
(CHEMBL1688312 | Methyl 2,3,4-Tri-O-acetyl-6-sulfam...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C13H21NO11S/c1-6(15)22-10-9(5-21-26(14,18)19)25-13(20-4)12(24-8(3)17)11(10)23-7(2)16/h9-13H,5H2,1-4H3,(H2,14,18,19)/t9-,10-,11+,12-,13+/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339449
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13+,14-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339446
PNG
(6-Sulfamoyl-alpha,beta-D-glucopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6?/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339442
PNG
(CHEMBL1688317 | Methyl-6-sulfamoyl-alpha-D-glucopy...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H15NO8S/c1-14-7-6(11)5(10)4(9)3(16-7)2-15-17(8,12)13/h3-7,9-11H,2H2,1H3,(H2,8,12,13)/t3-,4-,5+,6-,7+/m1/s1
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9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339450
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-galactop...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339444
PNG
(6-Sulfamoyl-alpha,beta-D-mannopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5+,6?/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339449
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13+,14-/m1/s1
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11.3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339444
PNG
(6-Sulfamoyl-alpha,beta-D-mannopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5+,6?/m1/s1
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53n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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 |r|
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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58n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339445
PNG
(6-Sulfamoyl-alpha,beta-D-galactopyranose | CHEMBL1...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6?/m1/s1
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62n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339447
PNG
(CHEMBL1688312 | Methyl 2,3,4-Tri-O-acetyl-6-sulfam...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C13H21NO11S/c1-6(15)22-10-9(5-21-26(14,18)19)25-13(20-4)12(24-8(3)17)11(10)23-7(2)16/h9-13H,5H2,1-4H3,(H2,14,18,19)/t9-,10-,11+,12-,13+/m1/s1
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66n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339441
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-glucopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14-/m1/s1
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73n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339450
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-galactop...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14-/m1/s1
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75n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339452
PNG
(1,2,3,4-Tetra-O-propionyl-6-sulfamoyl-beta-D-gluco...)
Show SMILES CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC |r|
Show InChI InChI=1S/C18H29NO12S/c1-5-11(20)28-15-10(9-26-32(19,24)25)27-18(31-14(23)8-4)17(30-13(22)7-3)16(15)29-12(21)6-2/h10,15-18H,5-9H2,1-4H3,(H2,19,24,25)/t10-,15-,16+,17-,18+/m1/s1
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77n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339446
PNG
(6-Sulfamoyl-alpha,beta-D-glucopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6?/m1/s1
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82n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339441
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-glucopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14-/m1/s1
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85n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339451
PNG
(1,2,3,4-Tetra-O-butyryl-6-sulfamoyl-beta-D-glucopy...)
Show SMILES CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC |r|
Show InChI InChI=1S/C22H37NO12S/c1-5-9-15(24)32-19-14(13-30-36(23,28)29)31-22(35-18(27)12-8-4)21(34-17(26)11-7-3)20(19)33-16(25)10-6-2/h14,19-22H,5-13H2,1-4H3,(H2,23,28,29)/t14-,19-,20+,21-,22+/m1/s1
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86n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339451
PNG
(1,2,3,4-Tetra-O-butyryl-6-sulfamoyl-beta-D-glucopy...)
Show SMILES CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC |r|
Show InChI InChI=1S/C22H37NO12S/c1-5-9-15(24)32-19-14(13-30-36(23,28)29)31-22(35-18(27)12-8-4)21(34-17(26)11-7-3)20(19)33-16(25)10-6-2/h14,19-22H,5-13H2,1-4H3,(H2,23,28,29)/t14-,19-,20+,21-,22+/m1/s1
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87n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339442
PNG
(CHEMBL1688317 | Methyl-6-sulfamoyl-alpha-D-glucopy...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H15NO8S/c1-14-7-6(11)5(10)4(9)3(16-7)2-15-17(8,12)13/h3-7,9-11H,2H2,1H3,(H2,8,12,13)/t3-,4-,5+,6-,7+/m1/s1
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93n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339445
PNG
(6-Sulfamoyl-alpha,beta-D-galactopyranose | CHEMBL1...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6?/m1/s1
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93n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339452
PNG
(1,2,3,4-Tetra-O-propionyl-6-sulfamoyl-beta-D-gluco...)
Show SMILES CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC |r|
Show InChI InChI=1S/C18H29NO12S/c1-5-11(20)28-15-10(9-26-32(19,24)25)27-18(31-14(23)8-4)17(30-13(22)7-3)16(15)29-12(21)6-2/h10,15-18H,5-9H2,1-4H3,(H2,19,24,25)/t10-,15-,16+,17-,18+/m1/s1
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96n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339444
PNG
(6-Sulfamoyl-alpha,beta-D-mannopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5+,6?/m1/s1
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104n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339452
PNG
(1,2,3,4-Tetra-O-propionyl-6-sulfamoyl-beta-D-gluco...)
Show SMILES CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC |r|
Show InChI InChI=1S/C18H29NO12S/c1-5-11(20)28-15-10(9-26-32(19,24)25)27-18(31-14(23)8-4)17(30-13(22)7-3)16(15)29-12(21)6-2/h10,15-18H,5-9H2,1-4H3,(H2,19,24,25)/t10-,15-,16+,17-,18+/m1/s1
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105n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339450
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-galactop...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14-/m1/s1
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106n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339451
PNG
(1,2,3,4-Tetra-O-butyryl-6-sulfamoyl-beta-D-glucopy...)
Show SMILES CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC |r|
Show InChI InChI=1S/C22H37NO12S/c1-5-9-15(24)32-19-14(13-30-36(23,28)29)31-22(35-18(27)12-8-4)21(34-17(26)11-7-3)20(19)33-16(25)10-6-2/h14,19-22H,5-13H2,1-4H3,(H2,23,28,29)/t14-,19-,20+,21-,22+/m1/s1
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114n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339442
PNG
(CHEMBL1688317 | Methyl-6-sulfamoyl-alpha-D-glucopy...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H15NO8S/c1-14-7-6(11)5(10)4(9)3(16-7)2-15-17(8,12)13/h3-7,9-11H,2H2,1H3,(H2,8,12,13)/t3-,4-,5+,6-,7+/m1/s1
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129n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339443
PNG
(6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
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138n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50339448
PNG
(1,2,2',3,3',4',6-Hepta-O-acetyl-6'-sulfamoyl-beta-...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO20S/c1-10(28)37-8-17-20(22(41-13(4)31)23(42-14(5)32)25(45-17)44-16(7)34)47-26-24(43-15(6)33)21(40-12(3)30)19(39-11(2)29)18(46-26)9-38-48(27,35)36/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
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145n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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 |r|
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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339441
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-glucopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14-/m1/s1
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307n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339443
PNG
(6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
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497n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339443
PNG
(6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
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513n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50339448
PNG
(1,2,2',3,3',4',6-Hepta-O-acetyl-6'-sulfamoyl-beta-...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO20S/c1-10(28)37-8-17-20(22(41-13(4)31)23(42-14(5)32)25(45-17)44-16(7)34)47-26-24(43-15(6)33)21(40-12(3)30)19(39-11(2)29)18(46-26)9-38-48(27,35)36/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
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631n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339448
PNG
(1,2,2',3,3',4',6-Hepta-O-acetyl-6'-sulfamoyl-beta-...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO20S/c1-10(28)37-8-17-20(22(41-13(4)31)23(42-14(5)32)25(45-17)44-16(7)34)47-26-24(43-15(6)33)21(40-12(3)30)19(39-11(2)29)18(46-26)9-38-48(27,35)36/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
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754n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339450
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-galactop...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14-/m1/s1
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860n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339449
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13+,14-/m1/s1
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970n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339446
PNG
(6-Sulfamoyl-alpha,beta-D-glucopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6?/m1/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339442
PNG
(CHEMBL1688317 | Methyl-6-sulfamoyl-alpha-D-glucopy...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H15NO8S/c1-14-7-6(11)5(10)4(9)3(16-7)2-15-17(8,12)13/h3-7,9-11H,2H2,1H3,(H2,8,12,13)/t3-,4-,5+,6-,7+/m1/s1
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1.19E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339452
PNG
(1,2,3,4-Tetra-O-propionyl-6-sulfamoyl-beta-D-gluco...)
Show SMILES CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC |r|
Show InChI InChI=1S/C18H29NO12S/c1-5-11(20)28-15-10(9-26-32(19,24)25)27-18(31-14(23)8-4)17(30-13(22)7-3)16(15)29-12(21)6-2/h10,15-18H,5-9H2,1-4H3,(H2,19,24,25)/t10-,15-,16+,17-,18+/m1/s1
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3.36E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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3.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1
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3.91E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1
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4.05E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1
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4.08E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1
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4.12E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1
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4.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
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4.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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4.19E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
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4.22E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1
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4.34E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1
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4.35E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339445
PNG
(6-Sulfamoyl-alpha,beta-D-galactopyranose | CHEMBL1...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6?/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1
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4.53E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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4.55E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339441
PNG
(1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-glucopyr...)
Show SMILES CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H21NO12S/c1-6(16)23-11-10(5-22-28(15,20)21)27-14(26-9(4)19)13(25-8(3)18)12(11)24-7(2)17/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14-/m1/s1
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4.61E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1
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4.61E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1
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4.66E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1
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4.69E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1
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4.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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4.80E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
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4.84E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1
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4.91E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1
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4.98E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339451
PNG
(1,2,3,4-Tetra-O-butyryl-6-sulfamoyl-beta-D-glucopy...)
Show SMILES CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC |r|
Show InChI InChI=1S/C22H37NO12S/c1-5-9-15(24)32-19-14(13-30-36(23,28)29)31-22(35-18(27)12-8-4)21(34-17(26)11-7-3)20(19)33-16(25)10-6-2/h14,19-22H,5-13H2,1-4H3,(H2,23,28,29)/t14-,19-,20+,21-,22+/m1/s1
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5.64E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339447
PNG
(CHEMBL1688312 | Methyl 2,3,4-Tri-O-acetyl-6-sulfam...)
Show SMILES CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C13H21NO11S/c1-6(15)22-10-9(5-21-26(14,18)19)25-13(20-4)12(24-8(3)17)11(10)23-7(2)16/h9-13H,5H2,1-4H3,(H2,14,18,19)/t9-,10-,11+,12-,13+/m1/s1
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5.66E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339444
PNG
(6-Sulfamoyl-alpha,beta-D-mannopyranose | CHEMBL168...)
Show SMILES NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5+,6?/m1/s1
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5.96E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339443
PNG
(6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.75E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339448
PNG
(1,2,2',3,3',4',6-Hepta-O-acetyl-6'-sulfamoyl-beta-...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C26H37NO20S/c1-10(28)37-8-17-20(22(41-13(4)31)23(42-14(5)32)25(45-17)44-16(7)34)47-26-24(43-15(6)33)21(40-12(3)30)19(39-11(2)29)18(46-26)9-38-48(27,35)36/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%