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11 molecules are shown

Compile data set for download or QSAR
Wt: 173.1
BDBM11372
Purchase
Wt: 191.1
BDBM11373
Wt: 207.6
BDBM11374
Wt: 252.0
BDBM11375
Wt: 299.0
BDBM11376
Wt: 187.2
BDBM11377
Purchase
Wt: 188.2
BDBM11383
Wt: 203.2
BDBM11385
Wt: 157.1
BDBM12414
Purchase
Wt: 191.6
BDBM50025093
Purchase
Wt: 207.2
BDBM50125192
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 101 hits for monomerid = 11372,11373,11374,11375,11376,11377,11383,11385,12414,50025093,50125192   
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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50025093
PNG
(4-Chloro-benzenesulfonamide | CHEMBL804 | P-Chloro...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Carbonic anhydrase


J Med Chem 29: 1488-94 (1986)


Article DOI: 10.1021/jm00158a028
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11376
PNG
(Hydroxysulfonamide 57 | N-hydroxy-4-iodobenzene-1-...)
Show SMILES ONS(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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13n/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


(Bos taurus)
BDBM50025093
PNG
(4-Chloro-benzenesulfonamide | CHEMBL804 | P-Chloro...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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14n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50025093
PNG
(4-Chloro-benzenesulfonamide | CHEMBL804 | P-Chloro...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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14n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025093
PNG
(4-Chloro-benzenesulfonamide | CHEMBL804 | P-Chloro...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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17.5 -10.6n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11375
PNG
(4-bromo-N-hydroxybenzene-1-sulfonamide | Hydroxysu...)
Show SMILES ONS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C6H6BrNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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18n/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))
BDBM11373
PNG
(4-fluoro-N-hydroxybenzene-1-sulfonamide | Hydroxys...)
Show SMILES ONS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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19n/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))
BDBM11374
PNG
(4-chloro-N-hydroxybenzene-1-sulfonamide | Hydroxys...)
Show SMILES ONS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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21n/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))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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26n/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 9


(Homo sapiens (human))
BDBM50125192
PNG
(CHEMBL6648 | Naphthalene-1-sulfonic acid amide | n...)
Show SMILES NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
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30n/an/an/an/an/an/an/an/a



Laxmi Fumigation and Pest Control (P)

Curated by ChEMBL


Assay Description
Inhibitory activity against human tumor-associated transmembrane carbonic anhydrase IX.


Bioorg Med Chem Lett 14: 3283-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.099
BindingDB Entry DOI: 10.7270/Q2K074TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125192
PNG
(CHEMBL6648 | Naphthalene-1-sulfonic acid amide | n...)
Show SMILES NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme IX, by CO2 hydrase assay method.


Bioorg Med Chem Lett 13: 1005-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00091-x
BindingDB Entry DOI: 10.7270/Q2PV6KXV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11383
PNG
(4-amino-N-hydroxybenzene-1-sulfonamide | Hydroxysu...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C6H8N2O3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H,7H2
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37n/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 IV


(Bos taurus (bovine))
BDBM11375
PNG
(4-bromo-N-hydroxybenzene-1-sulfonamide | Hydroxysu...)
Show SMILES ONS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C6H6BrNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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39n/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 IV


(Bos taurus (bovine))
BDBM11376
PNG
(Hydroxysulfonamide 57 | N-hydroxy-4-iodobenzene-1-...)
Show SMILES ONS(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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45n/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 2


(Homo sapiens (human))
BDBM11385
PNG
(Hydroxysulfonamide 66 | N-hydroxy-4-methoxybenzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO4S/c1-12-6-2-4-7(5-3-6)13(10,11)8-9/h2-5,8-9H,1H3
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51n/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 7


(Homo sapiens (human))
BDBM50025093
PNG
(4-Chloro-benzenesulfonamide | CHEMBL804 | P-Chloro...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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53 -9.92n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11383
PNG
(4-amino-N-hydroxybenzene-1-sulfonamide | Hydroxysu...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C6H8N2O3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H,7H2
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55n/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 2


(Homo sapiens (human))
BDBM11377
PNG
(Hydroxysulfonamide 58 | N-hydroxy-4-methylbenzene-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8-9H,1H3
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70n/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 IV


(Bos taurus (bovine))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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74n/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 IV


(Bos taurus (bovine))
BDBM11373
PNG
(4-fluoro-N-hydroxybenzene-1-sulfonamide | Hydroxys...)
Show SMILES ONS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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90n/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 IV


(Bos taurus (bovine))
BDBM11385
PNG
(Hydroxysulfonamide 66 | N-hydroxy-4-methoxybenzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO4S/c1-12-6-2-4-7(5-3-6)13(10,11)8-9/h2-5,8-9H,1H3
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110n/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 IV


(Bos taurus (bovine))
BDBM11374
PNG
(4-chloro-N-hydroxybenzene-1-sulfonamide | Hydroxys...)
Show SMILES ONS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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120n/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 IV


(Bos taurus (bovine))
BDBM11377
PNG
(Hydroxysulfonamide 58 | N-hydroxy-4-methylbenzene-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8-9H,1H3
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127n/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 2


(Homo sapiens (human))
BDBM50125192
PNG
(CHEMBL6648 | Naphthalene-1-sulfonic acid amide | n...)
Show SMILES NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
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133n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


Bioorg Med Chem Lett 13: 1005-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00091-x
BindingDB Entry DOI: 10.7270/Q2PV6KXV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Bos taurus)
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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178n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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178n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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305n/an/an/an/an/an/an/an/a



Union Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method


J Med Chem 55: 3513-20 (2012)


Article DOI: 10.1021/jm300203r
BindingDB Entry DOI: 10.7270/Q2RX9D4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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430n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50125192
PNG
(CHEMBL6648 | Naphthalene-1-sulfonic acid amide | n...)
Show SMILES NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
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438n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase isozyme IV isolated from bovine lung microsomes, by esterase assay method.


Bioorg Med Chem Lett 13: 1005-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00091-x
BindingDB Entry DOI: 10.7270/Q2PV6KXV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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1.10E+3 -8.12n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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1.10E+3n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.009
BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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1.12E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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2.97E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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3.30E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imaging


Nat Chem Biol 5: 341-3 (2009)


Article DOI: 10.1038/nchembio.157
BindingDB Entry DOI: 10.7270/Q2W37WHV
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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4.11E+3 -7.34n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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5.87E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Cecen University

Curated by ChEMBL


Assay Description
Inhibition of human esterase activity of carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis


Bioorg Med Chem 21: 1522-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.018
BindingDB Entry DOI: 10.7270/Q2NG4S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM11385
PNG
(Hydroxysulfonamide 66 | N-hydroxy-4-methoxybenzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO4S/c1-12-6-2-4-7(5-3-6)13(10,11)8-9/h2-5,8-9H,1H3
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1.20E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


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


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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1.24E+4n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM11385
PNG
(Hydroxysulfonamide 66 | N-hydroxy-4-methoxybenzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO4S/c1-12-6-2-4-7(5-3-6)13(10,11)8-9/h2-5,8-9H,1H3
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1.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


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
Collagenase


(homo sapiens (human))
BDBM11383
PNG
(4-amino-N-hydroxybenzene-1-sulfonamide | Hydroxysu...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C6H8N2O3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H,7H2
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1.50E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


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


(Homo sapiens (human))
BDBM11373
PNG
(4-fluoro-N-hydroxybenzene-1-sulfonamide | Hydroxys...)
Show SMILES ONS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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1.50E+4n/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


(Homo sapiens (human))
BDBM11376
PNG
(Hydroxysulfonamide 57 | N-hydroxy-4-iodobenzene-1-...)
Show SMILES ONS(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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1.50E+4n/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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM11385
PNG
(Hydroxysulfonamide 66 | N-hydroxy-4-methoxybenzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO4S/c1-12-6-2-4-7(5-3-6)13(10,11)8-9/h2-5,8-9H,1H3
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1.60E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


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


(Homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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1.80E+4n/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
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11385
PNG
(Hydroxysulfonamide 66 | N-hydroxy-4-methoxybenzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO4S/c1-12-6-2-4-7(5-3-6)13(10,11)8-9/h2-5,8-9H,1H3
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2.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM11383
PNG
(4-amino-N-hydroxybenzene-1-sulfonamide | Hydroxysu...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C6H8N2O3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H,7H2
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2.10E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


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


(Homo sapiens (human))
BDBM50125192
PNG
(CHEMBL6648 | Naphthalene-1-sulfonic acid amide | n...)
Show SMILES NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
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2.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I by esterase assay method.


Bioorg Med Chem Lett 13: 1005-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00091-x
BindingDB Entry DOI: 10.7270/Q2PV6KXV
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11383
PNG
(4-amino-N-hydroxybenzene-1-sulfonamide | Hydroxysu...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C6H8N2O3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H,7H2
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2.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


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


(Homo sapiens (human))
BDBM11374
PNG
(4-chloro-N-hydroxybenzene-1-sulfonamide | Hydroxys...)
Show SMILES ONS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
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2.70E+4n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11385
PNG
(Hydroxysulfonamide 66 | N-hydroxy-4-methoxybenzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NO
Show InChI InChI=1S/C7H9NO4S/c1-12-6-2-4-7(5-3-6)13(10,11)8-9/h2-5,8-9H,1H3
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3.30E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


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
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