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PubMed code 16203142

Compile data set for download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50098106
PNG
(CHEMBL24259 | PHENYLSULFAMATE | Sulfamic acid phen...)
Show SMILES NS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50098106
PNG
(CHEMBL24259 | PHENYLSULFAMATE | Sulfamic acid phen...)
Show SMILES NS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50051829
PNG
(4-methyl-2-oxo-2H-chromen-7-yl sulfamate | CHEMBL1...)
Show SMILES Cc1cc(=O)oc2cc(OS(N)(=O)=O)ccc12
Show InChI InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175010
PNG
((4-methyl-2-oxo-2H-chromen-7-yl)methanesulfonamide...)
Show SMILES Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12
Show InChI InChI=1S/C11H11NO4S/c1-7-4-11(13)16-10-5-8(2-3-9(7)10)6-17(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50098106
PNG
(CHEMBL24259 | PHENYLSULFAMATE | Sulfamic acid phen...)
Show SMILES NS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50370690
PNG
(CHEMBL1628081)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H25NO3S/c1-19-9-8-15-14-4-2-12(11-24(20,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)21/h2,4,10,15-17H,3,5-9,11H2,1H3,(H2,20,22,23)/t15-,16-,17+,19+/m1/s1
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50370691
PNG
(CHEMBL1628004)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(N)(=O)=O)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H23F2NO3S/c1-18-9-8-14-13-5-3-12(19(20,21)26(22,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,22,24,25)/t14-,15-,16+,18+/m1/s1
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96n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175009
PNG
((4-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(Br)cc1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-5(2-4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175010
PNG
((4-methyl-2-oxo-2H-chromen-7-yl)methanesulfonamide...)
Show SMILES Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12
Show InChI InChI=1S/C11H11NO4S/c1-7-4-11(13)16-10-5-8(2-3-9(7)10)6-17(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15)
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175002
PNG
(CHEMBL198891 | difluoro(4-methyl-2-oxo-2H-chromen-...)
Show SMILES Cc1cc(=O)oc2cc(ccc12)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C11H9F2NO4S/c1-6-4-10(15)18-9-5-7(2-3-8(6)9)11(12,13)19(14,16)17/h2-5H,1H3,(H2,14,16,17)
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104n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175008
PNG
((2-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1Br
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-4-2-1-3-5(6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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112n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
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113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50370690
PNG
(CHEMBL1628081)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H25NO3S/c1-19-9-8-15-14-4-2-12(11-24(20,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)21/h2,4,10,15-17H,3,5-9,11H2,1H3,(H2,20,22,23)/t15-,16-,17+,19+/m1/s1
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116n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
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128n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50370691
PNG
(CHEMBL1628004)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(N)(=O)=O)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H23F2NO3S/c1-18-9-8-14-13-5-3-12(19(20,21)26(22,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,22,24,25)/t14-,15-,16+,18+/m1/s1
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129n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
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153n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175007
PNG
(CHEMBL371870 | phenyldifluoromethanesulfonamide)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2NO2S/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
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156n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175006
PNG
(3-bromophenyl-difluoromethanesulfonamide | CHEMBL2...)
Show SMILES NS(=O)(=O)C(F)(F)c1cccc(Br)c1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175002
PNG
(CHEMBL198891 | difluoro(4-methyl-2-oxo-2H-chromen-...)
Show SMILES Cc1cc(=O)oc2cc(ccc12)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C11H9F2NO4S/c1-6-4-10(15)18-9-5-7(2-3-8(6)9)11(12,13)19(14,16)17/h2-5H,1H3,(H2,14,16,17)
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195n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50370690
PNG
(CHEMBL1628081)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H25NO3S/c1-19-9-8-15-14-4-2-12(11-24(20,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)21/h2,4,10,15-17H,3,5-9,11H2,1H3,(H2,20,22,23)/t15-,16-,17+,19+/m1/s1
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208n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175010
PNG
((4-methyl-2-oxo-2H-chromen-7-yl)methanesulfonamide...)
Show SMILES Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12
Show InChI InChI=1S/C11H11NO4S/c1-7-4-11(13)16-10-5-8(2-3-9(7)10)6-17(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15)
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240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175009
PNG
((4-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(Br)cc1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-5(2-4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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273n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
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348n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175007
PNG
(CHEMBL371870 | phenyldifluoromethanesulfonamide)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2NO2S/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
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357n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175002
PNG
(CHEMBL198891 | difluoro(4-methyl-2-oxo-2H-chromen-...)
Show SMILES Cc1cc(=O)oc2cc(ccc12)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C11H9F2NO4S/c1-6-4-10(15)18-9-5-7(2-3-8(6)9)11(12,13)19(14,16)17/h2-5H,1H3,(H2,14,16,17)
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415n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175006
PNG
(3-bromophenyl-difluoromethanesulfonamide | CHEMBL2...)
Show SMILES NS(=O)(=O)C(F)(F)c1cccc(Br)c1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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565n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175005
PNG
(CHEMBL369953 | phenylmethanesulfonamide)
Show SMILES NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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645n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50370691
PNG
(CHEMBL1628004)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(N)(=O)=O)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H23F2NO3S/c1-18-9-8-14-13-5-3-12(19(20,21)26(22,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,22,24,25)/t14-,15-,16+,18+/m1/s1
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670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175008
PNG
((2-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1Br
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-4-2-1-3-5(6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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714n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175007
PNG
(CHEMBL371870 | phenyldifluoromethanesulfonamide)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2NO2S/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
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785n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
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952n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175009
PNG
((4-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(Br)cc1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-5(2-4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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982n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175006
PNG
(3-bromophenyl-difluoromethanesulfonamide | CHEMBL2...)
Show SMILES NS(=O)(=O)C(F)(F)c1cccc(Br)c1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
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1.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175005
PNG
(CHEMBL369953 | phenylmethanesulfonamide)
Show SMILES NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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1.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50370690
PNG
(CHEMBL1628081)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H25NO3S/c1-19-9-8-15-14-4-2-12(11-24(20,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)21/h2,4,10,15-17H,3,5-9,11H2,1H3,(H2,20,22,23)/t15-,16-,17+,19+/m1/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175006
PNG
(3-bromophenyl-difluoromethanesulfonamide | CHEMBL2...)
Show SMILES NS(=O)(=O)C(F)(F)c1cccc(Br)c1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175002
PNG
(CHEMBL198891 | difluoro(4-methyl-2-oxo-2H-chromen-...)
Show SMILES Cc1cc(=O)oc2cc(ccc12)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C11H9F2NO4S/c1-6-4-10(15)18-9-5-7(2-3-8(6)9)11(12,13)19(14,16)17/h2-5H,1H3,(H2,14,16,17)
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1.52E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175005
PNG
(CHEMBL369953 | phenylmethanesulfonamide)
Show SMILES NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50370691
PNG
(CHEMBL1628004)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(N)(=O)=O)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H23F2NO3S/c1-18-9-8-14-13-5-3-12(19(20,21)26(22,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,22,24,25)/t14-,15-,16+,18+/m1/s1
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1.73E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
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2.42E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175008
PNG
((2-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1Br
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-4-2-1-3-5(6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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5.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175009
PNG
((4-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(Br)cc1
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-3-1-5(2-4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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7.73E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175007
PNG
(CHEMBL371870 | phenyldifluoromethanesulfonamide)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2NO2S/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
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8.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175010
PNG
((4-methyl-2-oxo-2H-chromen-7-yl)methanesulfonamide...)
Show SMILES Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12
Show InChI InChI=1S/C11H11NO4S/c1-7-4-11(13)16-10-5-8(2-3-9(7)10)6-17(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15)
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8.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175008
PNG
((2-bromophenyl)difluoromethanesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1Br
Show InChI InChI=1S/C7H6BrF2NO2S/c8-6-4-2-1-3-5(6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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9.28E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175005
PNG
(CHEMBL369953 | phenylmethanesulfonamide)
Show SMILES NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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9.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%