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14 molecules are shown

Wt: 332.4
BDBM10892
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Wt: 332.4
BDBM10893
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Wt: 614.7
BDBM11052
Wt: 308.3
BDBM11053
Wt: 230.2
BDBM11382
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Wt: 276.3
BDBM16652
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Wt: 366.2
BDBM16653
Wt: 214.2
BDBM16643
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Wt: 228.2
BDBM16645
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Wt: 290.3
BDBM35733
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Wt: 229.2
BDBM50080678
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Wt: 355.3
BDBM50101360
Wt: 389.8
BDBM50101367
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Wt: 348.2
BDBM50144814

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 86 hits for monomerid = 10892,10893,11052,11053,11382,16652,16653,16643,16645,35733,50080678,50101360,50101367,50144814   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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PubMed
4.70n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.123
BindingDB Entry DOI: 10.7270/Q2TQ61V6
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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6.70 -11.1n/an/an/an/an/an/a25



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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7.60n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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7.90 -11.0n/an/an/an/an/an/a25



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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9n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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9.10n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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9.10n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow technique


J Med Chem 51: 3051-6 (2008)


Article DOI: 10.1021/jm701526d
BindingDB Entry DOI: 10.7270/Q2KH0N4Q
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16653
PNG
(2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H7F5N2O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-1-3-6(4-2-5)24(19,22)23/h1-4H,(H,20,21)(H2,19,22,23)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101360
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50144814
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-1-3-7(4-2-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50144814
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-1-3-7(4-2-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50144814
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-1-3-7(4-2-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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16n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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16n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow technique


J Med Chem 51: 3051-6 (2008)


Article DOI: 10.1021/jm701526d
BindingDB Entry DOI: 10.7270/Q2KH0N4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16653
PNG
(2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H7F5N2O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-1-3-6(4-2-5)24(19,22)23/h1-4H,(H,20,21)(H2,19,22,23)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase II (CA2)


J Med Chem 43: 4542-51 (2000)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16653
PNG
(2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H7F5N2O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-1-3-6(4-2-5)24(19,22)23/h1-4H,(H,20,21)(H2,19,22,23)
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17n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16652
PNG
(4-Benzoylamino-benzenesulfonamide | CHEMBL23559 | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
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17n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM16652
PNG
(4-Benzoylamino-benzenesulfonamide | CHEMBL23559 | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
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21n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101367
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101360
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11382
PNG
(Hydroxysulfonamide 63 | N-[4-(hydroxysulfamoyl)phe...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C8H10N2O4S/c1-6(11)9-7-2-4-8(5-3-7)15(13,14)10-12/h2-5,10,12H,1H3,(H,9,11)
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29n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101367
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16652
PNG
(4-Benzoylamino-benzenesulfonamide | CHEMBL23559 | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
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37n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16652
PNG
(4-Benzoylamino-benzenesulfonamide | CHEMBL23559 | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
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37n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101360
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11382
PNG
(Hydroxysulfonamide 63 | N-[4-(hydroxysulfamoyl)phe...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C8H10N2O4S/c1-6(11)9-7-2-4-8(5-3-7)15(13,14)10-12/h2-5,10,12H,1H3,(H,9,11)
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40n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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46n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM16643
PNG
(4-Acetamido-benzenesulfonamide | CHEMBL687 | N-(4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
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49n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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52n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM16645
PNG
(4-Propionamido-benzenesulfonamide | CHEMBL278395 |...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
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56n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101367
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
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66n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM16652
PNG
(4-Benzoylamino-benzenesulfonamide | CHEMBL23559 | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
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73n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase (hpCA)


(Helicobacter pylori J99)
BDBM10893
PNG
(4-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
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79n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM16645
PNG
(4-Propionamido-benzenesulfonamide | CHEMBL278395 |...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
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106n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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107n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.123
BindingDB Entry DOI: 10.7270/Q2TQ61V6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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107 -9.50n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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108n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.123
BindingDB Entry DOI: 10.7270/Q2TQ61V6
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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108 -9.50n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080678
PNG
(2-Amino-N-(4-sulfamoyl-phenyl)-acetamide | CHEMBL1...)
Show SMILES NCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11N3O3S/c9-5-8(12)11-6-1-3-7(4-2-6)15(10,13)14/h1-4H,5,9H2,(H,11,12)(H2,10,13,14)
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124n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10893
PNG
(4-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
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133n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM16643
PNG
(4-Acetamido-benzenesulfonamide | CHEMBL687 | N-(4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
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135n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080678
PNG
(2-Amino-N-(4-sulfamoyl-phenyl)-acetamide | CHEMBL1...)
Show SMILES NCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11N3O3S/c9-5-8(12)11-6-1-3-7(4-2-6)15(10,13)14/h1-4H,5,9H2,(H,11,12)(H2,10,13,14)
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175n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM16652
PNG
(4-Benzoylamino-benzenesulfonamide | CHEMBL23559 | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
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176n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10892
PNG
(3-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-9-7-12(8-10-13)16(20)19-14-5-4-6-15(11-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
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210n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16645
PNG
(4-Propionamido-benzenesulfonamide | CHEMBL278395 |...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
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210n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16643
PNG
(4-Acetamido-benzenesulfonamide | CHEMBL687 | N-(4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
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212n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16645
PNG
(4-Propionamido-benzenesulfonamide | CHEMBL278395 |...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
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232n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16645
PNG
(4-Propionamido-benzenesulfonamide | CHEMBL278395 |...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
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232n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16643
PNG
(4-Acetamido-benzenesulfonamide | CHEMBL687 | N-(4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
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246n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16643
PNG
(4-Acetamido-benzenesulfonamide | CHEMBL687 | N-(4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
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246n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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