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PubMed code 24689792

Compile data set for download or QSAR
Found 54 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))
BDBM50004514
PNG
(CHEMBL3233394)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H11N5O5S2/c16-26(22,23)11-3-1-2-9(6-11)13-8-20(19-17-13)10-4-5-12-14(7-10)27(24,25)18-15(12)21/h1-8H,(H,18,21)(H2,16,22,23)
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004514
PNG
(CHEMBL3233394)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H11N5O5S2/c16-26(22,23)11-3-1-2-9(6-11)13-8-20(19-17-13)10-4-5-12-14(7-10)27(24,25)18-15(12)21/h1-8H,(H,18,21)(H2,16,22,23)
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9.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004512
PNG
(CHEMBL3233392)
Show SMILES Cc1cc(ccc1F)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H11FN4O3S/c1-9-6-10(2-5-13(9)17)14-8-21(20-18-14)11-3-4-12-15(7-11)25(23,24)19-16(12)22/h2-8H,1H3,(H,19,22)
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48n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004515
PNG
(CHEMBL3233395)
Show SMILES OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H18N4O9S/c21-5-10-12(22)13(23)14(24)16(29-10)28-6-7-4-20(19-17-7)8-1-2-9-11(3-8)30(26,27)18-15(9)25/h1-4,10,12-14,16,21-24H,5-6H2,(H,18,25)/t10-,12-,13+,14-,16-/m1/s1
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50n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004509
PNG
(CHEMBL3233389)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O3S/c1-10-3-2-4-11(7-10)14-9-20(19-17-14)12-5-6-13-15(8-12)24(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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57n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004512
PNG
(CHEMBL3233392)
Show SMILES Cc1cc(ccc1F)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H11FN4O3S/c1-9-6-10(2-5-13(9)17)14-8-21(20-18-14)11-3-4-12-15(7-11)25(23,24)19-16(12)22/h2-8H,1H3,(H,19,22)
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81n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004508
PNG
(CHEMBL3233388)
Show SMILES O=C1NS(=O)(=O)c2cc(ccc12)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H10N4O3S/c20-15-12-7-6-11(8-14(12)23(21,22)17-15)19-9-13(16-18-19)10-4-2-1-3-5-10/h1-9H,(H,17,20)
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86n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004514
PNG
(CHEMBL3233394)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H11N5O5S2/c16-26(22,23)11-3-1-2-9(6-11)13-8-20(19-17-13)10-4-5-12-14(7-10)27(24,25)18-15(12)21/h1-8H,(H,18,21)(H2,16,22,23)
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87n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004509
PNG
(CHEMBL3233389)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O3S/c1-10-3-2-4-11(7-10)14-9-20(19-17-14)12-5-6-13-15(8-12)24(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004484
PNG
(CHEMBL3233386)
Show SMILES [O-][N+](=O)c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
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96n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004513
PNG
(CHEMBL3233393)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)c(C)c1
Show InChI InChI=1S/C17H14N4O4S/c1-10-7-12(25-2)4-6-13(10)15-9-21(20-18-15)11-3-5-14-16(8-11)26(23,24)19-17(14)22/h3-9H,1-2H3,(H,19,22)
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96n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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103n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004513
PNG
(CHEMBL3233393)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)c(C)c1
Show InChI InChI=1S/C17H14N4O4S/c1-10-7-12(25-2)4-6-13(10)15-9-21(20-18-15)11-3-5-14-16(8-11)26(23,24)19-17(14)22/h3-9H,1-2H3,(H,19,22)
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201n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004511
PNG
(CHEMBL3233391)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O4S/c1-24-12-5-2-10(3-6-12)14-9-20(19-17-14)11-4-7-13-15(8-11)25(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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341n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004514
PNG
(CHEMBL3233394)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H11N5O5S2/c16-26(22,23)11-3-1-2-9(6-11)13-8-20(19-17-13)10-4-5-12-14(7-10)27(24,25)18-15(12)21/h1-8H,(H,18,21)(H2,16,22,23)
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354n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004510
PNG
(CHEMBL3233390)
Show SMILES FC(F)(F)c1ccccc1-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H9F3N4O3S/c17-16(18,19)12-4-2-1-3-10(12)13-8-23(22-20-13)9-5-6-11-14(7-9)27(25,26)21-15(11)24/h1-8H,(H,21,24)
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443n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004507
PNG
(CHEMBL3233387)
Show SMILES [N-]=[N+]=Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N4O3S/c8-11-9-4-1-2-5-6(3-4)15(13,14)10-7(5)12/h1-3H,(H,10,12)
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466n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004508
PNG
(CHEMBL3233388)
Show SMILES O=C1NS(=O)(=O)c2cc(ccc12)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H10N4O3S/c20-15-12-7-6-11(8-14(12)23(21,22)17-15)19-9-13(16-18-19)10-4-2-1-3-5-10/h1-9H,(H,17,20)
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484n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004515
PNG
(CHEMBL3233395)
Show SMILES OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H18N4O9S/c21-5-10-12(22)13(23)14(24)16(29-10)28-6-7-4-20(19-17-7)8-1-2-9-11(3-8)30(26,27)18-15(9)25/h1-4,10,12-14,16,21-24H,5-6H2,(H,18,25)/t10-,12-,13+,14-,16-/m1/s1
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572n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004506
PNG
(6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...)
Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
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610n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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633n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004507
PNG
(CHEMBL3233387)
Show SMILES [N-]=[N+]=Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N4O3S/c8-11-9-4-1-2-5-6(3-4)15(13,14)10-7(5)12/h1-3H,(H,10,12)
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665n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004510
PNG
(CHEMBL3233390)
Show SMILES FC(F)(F)c1ccccc1-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H9F3N4O3S/c17-16(18,19)12-4-2-1-3-10(12)13-8-23(22-20-13)9-5-6-11-14(7-9)27(25,26)21-15(11)24/h1-8H,(H,21,24)
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747n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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773n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004511
PNG
(CHEMBL3233391)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O4S/c1-24-12-5-2-10(3-6-12)14-9-20(19-17-14)11-4-7-13-15(8-11)25(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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866n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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935n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004506
PNG
(6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...)
Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
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2.75E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004512
PNG
(CHEMBL3233392)
Show SMILES Cc1cc(ccc1F)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H11FN4O3S/c1-9-6-10(2-5-13(9)17)14-8-21(20-18-14)11-3-4-12-15(7-11)25(23,24)19-16(12)22/h2-8H,1H3,(H,19,22)
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4.87E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004507
PNG
(CHEMBL3233387)
Show SMILES [N-]=[N+]=Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N4O3S/c8-11-9-4-1-2-5-6(3-4)15(13,14)10-7(5)12/h1-3H,(H,10,12)
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4.93E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004511
PNG
(CHEMBL3233391)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O4S/c1-24-12-5-2-10(3-6-12)14-9-20(19-17-14)11-4-7-13-15(8-11)25(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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5.32E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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5.95E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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7.21E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5B expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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7.92E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004510
PNG
(CHEMBL3233390)
Show SMILES FC(F)(F)c1ccccc1-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H9F3N4O3S/c17-16(18,19)12-4-2-1-3-10(12)13-8-23(22-20-13)9-5-6-11-14(7-9)27(25,26)21-15(11)24/h1-8H,(H,21,24)
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8.03E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004507
PNG
(CHEMBL3233387)
Show SMILES [N-]=[N+]=Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N4O3S/c8-11-9-4-1-2-5-6(3-4)15(13,14)10-7(5)12/h1-3H,(H,10,12)
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8.06E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004509
PNG
(CHEMBL3233389)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O3S/c1-10-3-2-4-11(7-10)14-9-20(19-17-14)12-5-6-13-15(8-12)24(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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8.11E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004513
PNG
(CHEMBL3233393)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)c(C)c1
Show InChI InChI=1S/C17H14N4O4S/c1-10-7-12(25-2)4-6-13(10)15-9-21(20-18-15)11-3-5-14-16(8-11)26(23,24)19-17(14)22/h3-9H,1-2H3,(H,19,22)
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8.75E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004508
PNG
(CHEMBL3233388)
Show SMILES O=C1NS(=O)(=O)c2cc(ccc12)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H10N4O3S/c20-15-12-7-6-11(8-14(12)23(21,22)17-15)19-9-13(16-18-19)10-4-2-1-3-5-10/h1-9H,(H,17,20)
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9.32E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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1.01E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5A expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004484
PNG
(CHEMBL3233386)
Show SMILES [O-][N+](=O)c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
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1.56E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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1.85E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004511
PNG
(CHEMBL3233391)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O4S/c1-24-12-5-2-10(3-6-12)14-9-20(19-17-14)11-4-7-13-15(8-11)25(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004508
PNG
(CHEMBL3233388)
Show SMILES O=C1NS(=O)(=O)c2cc(ccc12)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H10N4O3S/c20-15-12-7-6-11(8-14(12)23(21,22)17-15)19-9-13(16-18-19)10-4-2-1-3-5-10/h1-9H,(H,17,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004484
PNG
(CHEMBL3233386)
Show SMILES [O-][N+](=O)c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004513
PNG
(CHEMBL3233393)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)c(C)c1
Show InChI InChI=1S/C17H14N4O4S/c1-10-7-12(25-2)4-6-13(10)15-9-21(20-18-15)11-3-5-14-16(8-11)26(23,24)19-17(14)22/h3-9H,1-2H3,(H,19,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004509
PNG
(CHEMBL3233389)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H12N4O3S/c1-10-3-2-4-11(7-10)14-9-20(19-17-14)12-5-6-13-15(8-12)24(22,23)18-16(13)21/h2-9H,1H3,(H,18,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004515
PNG
(CHEMBL3233395)
Show SMILES OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H18N4O9S/c21-5-10-12(22)13(23)14(24)16(29-10)28-6-7-4-20(19-17-7)8-1-2-9-11(3-8)30(26,27)18-15(9)25/h1-4,10,12-14,16,21-24H,5-6H2,(H,18,25)/t10-,12-,13+,14-,16-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004512
PNG
(CHEMBL3233392)
Show SMILES Cc1cc(ccc1F)-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H11FN4O3S/c1-9-6-10(2-5-13(9)17)14-8-21(20-18-14)11-3-4-12-15(7-11)25(23,24)19-16(12)22/h2-8H,1H3,(H,19,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004515
PNG
(CHEMBL3233395)
Show SMILES OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H18N4O9S/c21-5-10-12(22)13(23)14(24)16(29-10)28-6-7-4-20(19-17-7)8-1-2-9-11(3-8)30(26,27)18-15(9)25/h1-4,10,12-14,16,21-24H,5-6H2,(H,18,25)/t10-,12-,13+,14-,16-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004510
PNG
(CHEMBL3233390)
Show SMILES FC(F)(F)c1ccccc1-c1cn(nn1)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C16H9F3N4O3S/c17-16(18,19)12-4-2-1-3-10(12)13-8-23(22-20-13)9-5-6-11-14(7-9)27(25,26)21-15(11)24/h1-8H,(H,21,24)
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004506
PNG
(6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...)
Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004506
PNG
(6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...)
Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004484
PNG
(CHEMBL3233386)
Show SMILES [O-][N+](=O)c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
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>5.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%