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PubMed code 26191373

Compile data set for download or QSAR
Found 52 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))
BDBM50112638
PNG
(CHEMBL3609431)
Show SMILES NOS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-15-16(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
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1n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112764
PNG
(CHEMBL3609438)
Show SMILES NOS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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3n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112783
PNG
(CHEMBL3609432)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9+,10?/s2
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3n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112768
PNG
(CHEMBL3609440)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(12-4)8-14(10,11)13-7/h2-6,8-9H,7H2,1H3/t4-,5+,6?/s2
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4n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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4n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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5n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112784
PNG
(CHEMBL3609433)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/s2
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5n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112759
PNG
(CHEMBL3609436)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(15-6(2)11)3-4-8(14-5)10-17(12,13)16-9/h3-5,7-8,10H,9H2,1-2H3/t5-,7+,8?/s2
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5n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112766
PNG
(CHEMBL3609439)
Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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6n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112644
PNG
(CHEMBL3609434)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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6n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
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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6n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112760
PNG
(CHEMBL3608320)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5+,6?/s2
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8n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

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



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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24n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112759
PNG
(CHEMBL3609436)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(15-6(2)11)3-4-8(14-5)10-17(12,13)16-9/h3-5,7-8,10H,9H2,1-2H3/t5-,7+,8?/s2
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24n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
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



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112766
PNG
(CHEMBL3609439)
Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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29n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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31n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112644
PNG
(CHEMBL3609434)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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37n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112783
PNG
(CHEMBL3609432)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9+,10?/s2
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39n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112764
PNG
(CHEMBL3609438)
Show SMILES NOS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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41n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112784
PNG
(CHEMBL3609433)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/s2
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43n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112644
PNG
(CHEMBL3609434)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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43n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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49n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112764
PNG
(CHEMBL3609438)
Show SMILES NOS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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50n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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55n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112768
PNG
(CHEMBL3609440)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(12-4)8-14(10,11)13-7/h2-6,8-9H,7H2,1H3/t4-,5+,6?/s2
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56n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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57n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112760
PNG
(CHEMBL3608320)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5+,6?/s2
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58n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112768
PNG
(CHEMBL3609440)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(12-4)8-14(10,11)13-7/h2-6,8-9H,7H2,1H3/t4-,5+,6?/s2
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60n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112762
PNG
(CHEMBL3609437)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/s2
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61n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112768
PNG
(CHEMBL3609440)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O |r,c:10|
Show InChI InChI=1/C6H12N2O5S/c1-4-5(9)2-3-6(12-4)8-14(10,11)13-7/h2-6,8-9H,7H2,1H3/t4-,5+,6?/s2
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61n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112766
PNG
(CHEMBL3609439)
Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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64n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112784
PNG
(CHEMBL3609433)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/s2
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69n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112766
PNG
(CHEMBL3609439)
Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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74n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112644
PNG
(CHEMBL3609434)
Show SMILES CC(=O)O[C@@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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75n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112784
PNG
(CHEMBL3609433)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/s2
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75n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112638
PNG
(CHEMBL3609431)
Show SMILES NOS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-15-16(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
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77n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112762
PNG
(CHEMBL3609437)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/s2
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80n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112760
PNG
(CHEMBL3608320)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5+,6?/s2
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85n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1 |r,c:14|
Show InChI InChI=1/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/s2
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86n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112759
PNG
(CHEMBL3609436)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(15-6(2)11)3-4-8(14-5)10-17(12,13)16-9/h3-5,7-8,10H,9H2,1-2H3/t5-,7+,8?/s2
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86n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112759
PNG
(CHEMBL3609436)
Show SMILES C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:10|
Show InChI InChI=1/C8H14N2O6S/c1-5-7(15-6(2)11)3-4-8(14-5)10-17(12,13)16-9/h3-5,7-8,10H,9H2,1-2H3/t5-,7+,8?/s2
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88n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112783
PNG
(CHEMBL3609432)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9+,10?/s2
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90n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112783
PNG
(CHEMBL3609432)
Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O |r,c:14|
Show InChI InChI=1/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9+,10?/s2
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90n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112764
PNG
(CHEMBL3609438)
Show SMILES NOS(=O)(=O)NC1OC[C@@H](O)C=C1 |r,c:11|
Show InChI InChI=1/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/s2
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91n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112762
PNG
(CHEMBL3609437)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/s2
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217n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

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



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112762
PNG
(CHEMBL3609437)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/s2
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250n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112638
PNG
(CHEMBL3609431)
Show SMILES NOS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-15-16(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
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300n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112760
PNG
(CHEMBL3608320)
Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@@H](O)C=C1 |r,c:13|
Show InChI InChI=1/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5+,6?/s2
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552n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112638
PNG
(CHEMBL3609431)
Show SMILES NOS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-15-16(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
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556n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%