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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'ombouma' and Initial = 'j'   
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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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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
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
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=1S/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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=1S/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?/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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=1S/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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



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
BindingDB Entry DOI: 10.7270/Q2VD713X
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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=1S/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?/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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=1S/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?/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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PubMed
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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
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=1S/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?/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair
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