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PubMed code 18501600

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 15


(Mus musculus)
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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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26196
PNG
(4-cyanophenol | 4-hydroxybenzonitrile | phenol der...)
Show SMILES Oc1ccc(cc1)C#N
Show InChI InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
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108n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 15


(Mus musculus)
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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2.33E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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6.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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7.12E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 15


(Mus musculus)
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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7.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26189
PNG
(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Show SMILES Oc1cccc(O)c1
Show InChI InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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7.70E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 15


(Mus musculus)
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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9.23E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26194
PNG
(4-Hydroxybenzoate, III | 4-hydroxybenzoic acid | C...)
Show SMILES OC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
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9.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26194
PNG
(4-Hydroxybenzoate, III | 4-hydroxybenzoic acid | C...)
Show SMILES OC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
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9.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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9.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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9.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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1.02E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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1.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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1.06E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26194
PNG
(4-Hydroxybenzoate, III | 4-hydroxybenzoic acid | C...)
Show SMILES OC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
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1.06E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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1.07E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26192
PNG
(3,5-difluorophenol | phenol derivative, 6)
Show SMILES Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
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1.13E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26196
PNG
(4-cyanophenol | 4-hydroxybenzonitrile | phenol der...)
Show SMILES Oc1ccc(cc1)C#N
Show InChI InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
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PubMed
1.31E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26191
PNG
(2,5-difluorophenol | phenol derivative, 5)
Show SMILES Oc1cc(F)ccc1F
Show InChI InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
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1.34E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26195
PNG
(4-aminophenol | phenol derivative, 9)
Show SMILES Nc1ccc(O)cc1
Show InChI InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
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1.59E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26191
PNG
(2,5-difluorophenol | phenol derivative, 5)
Show SMILES Oc1cc(F)ccc1F
Show InChI InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
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2.12E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26195
PNG
(4-aminophenol | phenol derivative, 9)
Show SMILES Nc1ccc(O)cc1
Show InChI InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
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3.35E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26189
PNG
(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Show SMILES Oc1cccc(O)c1
Show InChI InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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3.85E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26196
PNG
(4-cyanophenol | 4-hydroxybenzonitrile | phenol der...)
Show SMILES Oc1ccc(cc1)C#N
Show InChI InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
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4.34E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26195
PNG
(4-aminophenol | phenol derivative, 9)
Show SMILES Nc1ccc(O)cc1
Show InChI InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
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7.52E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26189
PNG
(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Show SMILES Oc1cccc(O)c1
Show InChI InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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7.95E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26191
PNG
(2,5-difluorophenol | phenol derivative, 5)
Show SMILES Oc1cc(F)ccc1F
Show InChI InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
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8.70E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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4.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%