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PubMed code 25438758

Compile data set for download or QSAR
Found 44 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 12


(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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5.60n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035174
PNG
(CHEMBL3343324)
Show SMILES ONS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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8n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/s2
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8n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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9n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035172
PNG
(CHEMBL3343322)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5+,6?/s2
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9n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
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



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(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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25n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035173
PNG
(CHEMBL3343323)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5-,6?/s2
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44n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035170
PNG
(CHEMBL3343180)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
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44n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035171
PNG
(CHEMBL3343181)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/s2
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47n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035169
PNG
(CHEMBL3343179)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
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54n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035173
PNG
(CHEMBL3343323)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5-,6?/s2
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68n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035167
PNG
(CHEMBL3343177)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9+,10?/s2
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76n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035168
PNG
(CHEMBL3343178)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9-,10?/s2
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79n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035170
PNG
(CHEMBL3343180)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
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81n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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85n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035168
PNG
(CHEMBL3343178)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9-,10?/s2
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86n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035169
PNG
(CHEMBL3343179)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
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86n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/s2
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87n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035174
PNG
(CHEMBL3343324)
Show SMILES ONS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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88n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035167
PNG
(CHEMBL3343177)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9+,10?/s2
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90n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035172
PNG
(CHEMBL3343322)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5+,6?/s2
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91n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035172
PNG
(CHEMBL3343322)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5+,6?/s2
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93n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035171
PNG
(CHEMBL3343181)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/s2
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93n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035171
PNG
(CHEMBL3343181)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/s2
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94n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035167
PNG
(CHEMBL3343177)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9+,10?/s2
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94n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035168
PNG
(CHEMBL3343178)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9-,10?/s2
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207n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
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



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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415n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035168
PNG
(CHEMBL3343178)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9-,10?/s2
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752n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035167
PNG
(CHEMBL3343177)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)18-5-9-8(19-7(2)14)3-4-10(20-9)11-21(16,17)12-15/h3-4,8-12,15H,5H2,1-2H3/t8-,9+,10?/s2
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813n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035173
PNG
(CHEMBL3343323)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5-,6?/s2
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917n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035174
PNG
(CHEMBL3343324)
Show SMILES ONS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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927n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035174
PNG
(CHEMBL3343324)
Show SMILES ONS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035172
PNG
(CHEMBL3343322)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5+,6?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035173
PNG
(CHEMBL3343323)
Show SMILES OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:11|
Show InChI InChI=1/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5-,6?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035170
PNG
(CHEMBL3343180)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035170
PNG
(CHEMBL3343180)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035169
PNG
(CHEMBL3343179)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035171
PNG
(CHEMBL3343181)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035169
PNG
(CHEMBL3343179)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%