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PubMed code 22705188

Compile data set for download or QSAR
Found 73 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 9


(Homo sapiens (Human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
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0.75n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349858
PNG
(CHEMBL78755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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1.30n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349858
PNG
(CHEMBL78755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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1.5n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
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1.60n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349858
PNG
(CHEMBL78755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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7n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349858
PNG
(CHEMBL78755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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12n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50080733
PNG
(4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
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34n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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37n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
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37n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428412
PNG
(4-(2-Fluoropropylamino)Benzenesulfonamide | CHEMBL...)
Show SMILES CC(F)CNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)
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44n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080733
PNG
(4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
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46n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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47n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428398
PNG
(CHEMBL2333965)
Show SMILES NS(=O)(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H2,10,12,13)
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51n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428412
PNG
(4-(2-Fluoropropylamino)Benzenesulfonamide | CHEMBL...)
Show SMILES CC(F)CNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)
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58n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428401
PNG
(CHEMBL2333977)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CC(Cl)=C)CC(Cl)=C
Show InChI InChI=1S/C12H14Cl2N2O2S/c1-9(13)7-16(8-10(2)14)19(17,18)12-5-3-11(15)4-6-12/h3-6H,1-2,7-8,15H2
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73n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428412
PNG
(4-(2-Fluoropropylamino)Benzenesulfonamide | CHEMBL...)
Show SMILES CC(F)CNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)
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74n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
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75n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428398
PNG
(CHEMBL2333965)
Show SMILES NS(=O)(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H2,10,12,13)
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79n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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79n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428401
PNG
(CHEMBL2333977)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CC(Cl)=C)CC(Cl)=C
Show InChI InChI=1S/C12H14Cl2N2O2S/c1-9(13)7-16(8-10(2)14)19(17,18)12-5-3-11(15)4-6-12/h3-6H,1-2,7-8,15H2
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80n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428398
PNG
(CHEMBL2333965)
Show SMILES NS(=O)(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H2,10,12,13)
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81n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
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83n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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85n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
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90n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
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96n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428411
PNG
(CHEMBL2333967)
Show SMILES CC1CN(C)S(=O)(=O)c2ccc(N)cc12
Show InChI InChI=1S/C10H14N2O2S/c1-7-6-12(2)15(13,14)10-4-3-8(11)5-9(7)10/h3-5,7H,6,11H2,1-2H3
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136n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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151n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50080733
PNG
(4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
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164n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
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174n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428412
PNG
(4-(2-Fluoropropylamino)Benzenesulfonamide | CHEMBL...)
Show SMILES CC(F)CNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)
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175n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428398
PNG
(CHEMBL2333965)
Show SMILES NS(=O)(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H2,10,12,13)
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192n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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240n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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294n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428411
PNG
(CHEMBL2333967)
Show SMILES CC1CN(C)S(=O)(=O)c2ccc(N)cc12
Show InChI InChI=1S/C10H14N2O2S/c1-7-6-12(2)15(13,14)10-4-3-8(11)5-9(7)10/h3-5,7H,6,11H2,1-2H3
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298n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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395n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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419n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428411
PNG
(CHEMBL2333967)
Show SMILES CC1CN(C)S(=O)(=O)c2ccc(N)cc12
Show InChI InChI=1S/C10H14N2O2S/c1-7-6-12(2)15(13,14)10-4-3-8(11)5-9(7)10/h3-5,7H,6,11H2,1-2H3
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431n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428411
PNG
(CHEMBL2333967)
Show SMILES CC1CN(C)S(=O)(=O)c2ccc(N)cc12
Show InChI InChI=1S/C10H14N2O2S/c1-7-6-12(2)15(13,14)10-4-3-8(11)5-9(7)10/h3-5,7H,6,11H2,1-2H3
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637n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428404
PNG
(CHEMBL2333974)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)Cl
Show InChI InChI=1S/C9H12ClFN2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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799n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428399
PNG
(4-(Allylamino)Benzenesulfonamide | CHEMBL2333964)
Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1
Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)
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966n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
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1.10E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428407
PNG
(CHEMBL2333971)
Show SMILES CC(F)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C11H15FN2O3S/c1-8(12)7-13-18(16,17)11-5-3-10(4-6-11)14-9(2)15/h3-6,8,13H,7H2,1-2H3,(H,14,15)
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1.10E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428403
PNG
(CHEMBL2333975)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)F
Show InChI InChI=1S/C9H12F2N2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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1.15E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428409
PNG
(CHEMBL2333969)
Show SMILES CC(=C)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H14N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,1,7,11H2,2H3
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1.28E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428399
PNG
(4-(Allylamino)Benzenesulfonamide | CHEMBL2333964)
Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1
Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)
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1.40E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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1.52E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428410
PNG
(CHEMBL2333968)
Show SMILES CCCNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
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1.84E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428404
PNG
(CHEMBL2333974)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)Cl
Show InChI InChI=1S/C9H12ClFN2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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1.95E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428399
PNG
(4-(Allylamino)Benzenesulfonamide | CHEMBL2333964)
Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1
Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)
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2.08E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428410
PNG
(CHEMBL2333968)
Show SMILES CCCNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
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2.08E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428403
PNG
(CHEMBL2333975)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)F
Show InChI InChI=1S/C9H12F2N2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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2.12E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428399
PNG
(4-(Allylamino)Benzenesulfonamide | CHEMBL2333964)
Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1
Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)
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2.34E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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2.47E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428404
PNG
(CHEMBL2333974)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)Cl
Show InChI InChI=1S/C9H12ClFN2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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2.47E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428410
PNG
(CHEMBL2333968)
Show SMILES CCCNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
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3.46E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428409
PNG
(CHEMBL2333969)
Show SMILES CC(=C)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H14N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,1,7,11H2,2H3
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3.46E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428403
PNG
(CHEMBL2333975)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)F
Show InChI InChI=1S/C9H12F2N2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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4.22E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428403
PNG
(CHEMBL2333975)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)F
Show InChI InChI=1S/C9H12F2N2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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4.24E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428407
PNG
(CHEMBL2333971)
Show SMILES CC(F)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C11H15FN2O3S/c1-8(12)7-13-18(16,17)11-5-3-10(4-6-11)14-9(2)15/h3-6,8,13H,7H2,1-2H3,(H,14,15)
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4.40E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428407
PNG
(CHEMBL2333971)
Show SMILES CC(F)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C11H15FN2O3S/c1-8(12)7-13-18(16,17)11-5-3-10(4-6-11)14-9(2)15/h3-6,8,13H,7H2,1-2H3,(H,14,15)
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4.60E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428409
PNG
(CHEMBL2333969)
Show SMILES CC(=C)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H14N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,1,7,11H2,2H3
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4.71E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428407
PNG
(CHEMBL2333971)
Show SMILES CC(F)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C11H15FN2O3S/c1-8(12)7-13-18(16,17)11-5-3-10(4-6-11)14-9(2)15/h3-6,8,13H,7H2,1-2H3,(H,14,15)
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4.80E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428401
PNG
(CHEMBL2333977)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CC(Cl)=C)CC(Cl)=C
Show InChI InChI=1S/C12H14Cl2N2O2S/c1-9(13)7-16(8-10(2)14)19(17,18)12-5-3-11(15)4-6-12/h3-6H,1-2,7-8,15H2
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5.00E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428410
PNG
(CHEMBL2333968)
Show SMILES CCCNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
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5.14E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
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5.18E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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5.18E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
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5.63E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428404
PNG
(CHEMBL2333974)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCC(F)Cl
Show InChI InChI=1S/C9H12ClFN2O2S/c10-9(11)5-6-13-16(14,15)8-3-1-7(12)2-4-8/h1-4,9,13H,5-6,12H2
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6.76E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428401
PNG
(CHEMBL2333977)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CC(Cl)=C)CC(Cl)=C
Show InChI InChI=1S/C12H14Cl2N2O2S/c1-9(13)7-16(8-10(2)14)19(17,18)12-5-3-11(15)4-6-12/h3-6H,1-2,7-8,15H2
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6.80E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428409
PNG
(CHEMBL2333969)
Show SMILES CC(=C)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H14N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,1,7,11H2,2H3
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PubMed
7.14E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%