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Compile Data Set for Download or QSAR

Found 229 hits of ph data with Target = 'Carbonic anhydrase'   
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


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248146
PNG
(CA standard inhibitor, 5)
Show SMILES Oc1ccc(cc1CN1CCCC1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H20N2O2/c22-18(7-5-15-4-3-9-20-13-15)16-6-8-19(23)17(12-16)14-21-10-1-2-11-21/h3-9,12-13,23H,1-2,10-11,14H2/b7-5+
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UniChem
Article
PubMed
4.90E+3 -30.3n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248144
PNG
(CA standard inhibitor, 3)
Show SMILES CN(C)Cc1cc(ccc1O)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C17H18N2O2/c1-19(2)12-15-10-14(6-8-17(15)21)16(20)7-5-13-4-3-9-18-11-13/h3-11,21H,12H2,1-2H3/b7-5+
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UniChem
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2.35E+4 -26.4n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248147
PNG
(CA standard inhibitor, 6)
Show SMILES Oc1ccc(cc1CN1CCCCC1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C20H22N2O2/c23-19(8-6-16-5-4-10-21-14-16)17-7-9-20(24)18(13-17)15-22-11-2-1-3-12-22/h4-10,13-14,24H,1-3,11-12,15H2/b8-6+
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6.50E+4 -23.9n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248143
PNG
(CA standard inhibitor, 2)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C14H11NO2/c16-13-7-4-11(5-8-13)14(17)9-6-12-3-1-2-10-15-12/h1-10,16H/b9-6+
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6.58E+4 -23.9n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248148
PNG
(CA standard inhibitor, 7)
Show SMILES CNCCNCc1cc(ccc1O)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C18H21N3O2/c1-19-9-10-21-13-16-11-15(5-7-18(16)23)17(22)6-4-14-3-2-8-20-12-14/h2-8,11-12,19,21,23H,9-10,13H2,1H3/b6-4+
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7.65E+4 -23.5n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM50607
PNG
((E)-1-(4-Hydroxy-phenyl)-3-pyridin-3-yl-propenone ...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H11NO2/c16-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-15-10-11/h1-10,16H/b8-3+
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7.65E+4 -23.5n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248145
PNG
(CA standard inhibitor, 4)
Show SMILES CCN(CC)Cc1cc(ccc1O)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H22N2O2/c1-3-21(4-2)14-17-12-16(8-10-19(17)23)18(22)9-7-15-6-5-11-20-13-15/h5-13,23H,3-4,14H2,1-2H3/b9-7+
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7.71E+4 -23.5n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248152
PNG
(CA standard inhibitor, 11)
Show SMILES Oc1ccc(cc1CN1CCCCC1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C20H22N2O2/c23-19(10-8-18-6-2-3-11-21-18)16-7-9-20(24)17(14-16)15-22-12-4-1-5-13-22/h2-3,6-11,14,24H,1,4-5,12-13,15H2/b10-8+
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7.91E+4 -23.4n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248153
PNG
(CA standard inhibitor, 12)
Show SMILES CNCCNCc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C18H21N3O2/c1-19-10-11-20-13-15-12-14(5-7-18(15)23)17(22)8-6-16-4-2-3-9-21-16/h2-9,12,19-20,23H,10-11,13H2,1H3/b8-6+
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7.95E+4 -23.4n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248150
PNG
(CA standard inhibitor, 9)
Show SMILES CCN(CC)Cc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C19H22N2O2/c1-3-21(4-2)14-16-13-15(8-10-19(16)23)18(22)11-9-17-7-5-6-12-20-17/h5-13,23H,3-4,14H2,1-2H3/b11-9+
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8.19E+4 -23.3n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
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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8.26E+4 -23.3n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248151
PNG
(CA standard inhibitor, 10)
Show SMILES Oc1ccc(cc1CN1CCCC1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C19H20N2O2/c22-18(9-7-17-5-1-2-10-20-17)15-6-8-19(23)16(13-15)14-21-11-3-4-12-21/h1-2,5-10,13,23H,3-4,11-12,14H2/b9-7+
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8.58E+4 -23.2n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248149
PNG
(CA standard inhibitor, 8)
Show SMILES CN(C)Cc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C17H18N2O2/c1-19(2)12-14-11-13(6-8-17(14)21)16(20)9-7-15-5-3-4-10-18-15/h3-11,21H,12H2,1-2H3/b9-7+
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9.01E+4 -23.1n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248154
PNG
(CA standard inhibitor, 13)
Show SMILES OCCNCc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C17H18N2O3/c20-10-9-18-12-14-11-13(4-6-17(14)22)16(21)7-5-15-3-1-2-8-19-15/h1-8,11,18,20,22H,9-10,12H2/b7-5+
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9.54E+4 -22.9n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
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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PubMed
6.80 -45.8n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
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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PubMed
21 -43.1n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanosarcina thermophila)
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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63 -40.4n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Methanosarcina thermophila gamma carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Mycobacterium tuberculosis)
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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104n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis Rv3273 carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay at pH 7.5


Bioorg Med Chem Lett 21: 3591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.105
BindingDB Entry DOI: 10.7270/Q2930TGN
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanosarcina thermophila)
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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473 -35.5n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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7.00E+3 -28.9n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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7.40E+3 -29.3n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26995
PNG
(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
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8.00E+3 -28.6n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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2.30E+4 -26.0n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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3.10E+4 -25.3n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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3.30E+4 -25.1n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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4.30E+4 -24.5n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae)
BDBM26995
PNG
(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
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5.40E+4 -23.9n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26991
PNG
(CHEMBL1689285 | HSO3- | bisulfite | hydrogen sulfi...)
Show SMILES OS([O-])=O
Show InChI InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
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6.80E+4 -23.4n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26995
PNG
(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
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7.20E+4 -23.6n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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7.30E+4 -23.6n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26990
PNG
(CHEMBL1644699 | HS anion | HS(-1) | hydrogen(sulfi...)
Show InChI InChI=1S/H2S/h1H2/p-1
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7.40E+4 -23.2n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM60995
PNG
(BDBM50401535 | CNO- | fulminate ion)
Show SMILES [O-][N+]#[C-]
Show InChI InChI=1S/CNO/c1-2-3/q-1
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7.50E+4 -23.1n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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7.60E+4 -23.1n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae)
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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PubMed
7.90E+4 -23.0n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
8.50E+4 -22.8n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae)
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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8.60E+4 -22.8n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+4 -22.8n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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PubMed
9.20E+4 -23.0n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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9.40E+4 -23.0n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM50333131
PNG
(CHEMBL1075630 | sodium pyrovanadate(V) | tetrasodi...)
Show SMILES [O-][V]([O-])(=O)O[V]([O-])([O-])=O
Show InChI InChI=1S/7O.2V/q;;;4*-1;;
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1.80E+5 -21.4n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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2.10E+5 -21.0n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM60995
PNG
(BDBM50401535 | CNO- | fulminate ion)
Show SMILES [O-][N+]#[C-]
Show InChI InChI=1S/CNO/c1-2-3/q-1
UniProtKB/TrEMBL

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PubMed
3.70E+5 -19.6n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26980
PNG
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show InChI InChI=1S/BrH/h1H/p-1
UniProtKB/TrEMBL

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3.80E+5 -19.5n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26987
PNG
(CHEMBL180485 | CO3(2-) | SODIUM CARBONATE | carbon...)
Show SMILES [O-]C([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
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4.20E+5 -19.3n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM50278313
PNG
(CHEMBL471869 | sodium tellurate(VI))
Show SMILES [O-][Te]([O-])(=O)=O
Show InChI InChI=1S/H2O4Te/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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4.50E+5 -19.1n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM50278312
PNG
(CHEMBL445433 | sodium stannate(IV))
Show SMILES [O-][Sn]([O-])=O
Show InChI InChI=1S/3O.Sn/q;2*-1;
UniProtKB/TrEMBL

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4.80E+5 -18.9n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26986
PNG
(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
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5.00E+5 -18.8n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
UniProtKB/TrEMBL

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5.40E+5 -18.7n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26979
PNG
(CHEMBL69710 | Cl- | POTASSIUM CHLORIDE | SODIUM CH...)
Show InChI InChI=1S/ClH/h1H/p-1
UniProtKB/TrEMBL

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UniChem
Article
PubMed
5.60E+5 -18.6n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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Article
PubMed
5.70E+5 -18.5n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
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