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PubMed code 24589511

Compile data set for download or QSAR
Found 60 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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PubMed
5.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008327
PNG
(CHEMBL3235167)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O4S/c19-18(20,21)17(25)10-11-23(12-16(24)13-4-2-1-3-5-13)14-6-8-15(9-7-14)28(22,26)27/h1-11H,12H2,(H2,22,26,27)/b11-10+
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9.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008345
PNG
(CHEMBL3235173)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)13-8-6-12(7-9-13)18-10-14(17-15(18)19)11-4-2-1-3-5-11/h1-10H,(H,17,19)(H2,16,20,21)
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12n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008350
PNG
(CHEMBL3235176)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S2/c16-11-3-1-10(2-4-11)14-9-19(15(22)18-14)12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,22)(H2,17,20,21)
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12n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008349
PNG
(CHEMBL3235175)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c16-22(19,20)13-8-6-12(7-9-13)18-10-14(17-15(18)21)11-4-2-1-3-5-11/h1-10H,(H,17,21)(H2,16,19,20)
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13n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008334
PNG
(CHEMBL3235169)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(F)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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13n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008343
PNG
(CHEMBL3235172)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18ClN3O5S2/c1-2-27-18(24)21-17(28)22(11-16(23)12-3-5-13(19)6-4-12)14-7-9-15(10-8-14)29(20,25)26/h3-10H,2,11H2,1H3,(H2,20,25,26)(H,21,24,28)
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14n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008332
PNG
(CHEMBL3235168)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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17n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008338
PNG
(CHEMBL3235170)
Show SMILES Cc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-13-2-4-14(5-3-13)17(25)12-24(11-10-18(26)19(20,21)22)15-6-8-16(9-7-15)29(23,27)28/h2-11H,12H2,1H3,(H2,23,27,28)/b11-10+
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18n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008349
PNG
(CHEMBL3235175)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c16-22(19,20)13-8-6-12(7-9-13)18-10-14(17-15(18)21)11-4-2-1-3-5-11/h1-10H,(H,17,21)(H2,16,19,20)
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21n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008323
PNG
(CHEMBL3235166)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+
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24n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008340
PNG
(CHEMBL3235171)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O5S2/c1-2-26-18(23)20-17(27)21(12-16(22)13-6-4-3-5-7-13)14-8-10-15(11-9-14)28(19,24)25/h3-11H,2,12H2,1H3,(H2,19,24,25)(H,20,23,27)
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24n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008340
PNG
(CHEMBL3235171)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O5S2/c1-2-26-18(23)20-17(27)21(12-16(22)13-6-4-3-5-7-13)14-8-10-15(11-9-14)28(19,24)25/h3-11H,2,12H2,1H3,(H2,19,24,25)(H,20,23,27)
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25n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008346
PNG
(CHEMBL3235174)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-11-3-1-10(2-4-11)14-9-19(15(20)18-14)12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H,18,20)(H2,17,21,22)
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25n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008343
PNG
(CHEMBL3235172)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18ClN3O5S2/c1-2-27-18(24)21-17(28)22(11-16(23)12-3-5-13(19)6-4-12)14-7-9-15(10-8-14)29(20,25)26/h3-10H,2,11H2,1H3,(H2,20,25,26)(H,21,24,28)
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25n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008332
PNG
(CHEMBL3235168)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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27n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008338
PNG
(CHEMBL3235170)
Show SMILES Cc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-13-2-4-14(5-3-13)17(25)12-24(11-10-18(26)19(20,21)22)15-6-8-16(9-7-15)29(23,27)28/h2-11H,12H2,1H3,(H2,23,27,28)/b11-10+
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28n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008327
PNG
(CHEMBL3235167)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O4S/c19-18(20,21)17(25)10-11-23(12-16(24)13-4-2-1-3-5-13)14-6-8-15(9-7-14)28(22,26)27/h1-11H,12H2,(H2,22,26,27)/b11-10+
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29n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008334
PNG
(CHEMBL3235169)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(F)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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29n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008354
PNG
(CHEMBL3235177)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(cc2)S(N)(=O)=O)c(=S)[nH]1
Show InChI InChI=1S/C16H15N3O3S2/c1-22-13-6-2-11(3-7-13)15-10-19(16(23)18-15)12-4-8-14(9-5-12)24(17,20)21/h2-10H,1H3,(H,18,23)(H2,17,20,21)
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30n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008323
PNG
(CHEMBL3235166)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+
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33n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008345
PNG
(CHEMBL3235173)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)13-8-6-12(7-9-13)18-10-14(17-15(18)19)11-4-2-1-3-5-11/h1-10H,(H,17,19)(H2,16,20,21)
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34n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008354
PNG
(CHEMBL3235177)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(cc2)S(N)(=O)=O)c(=S)[nH]1
Show InChI InChI=1S/C16H15N3O3S2/c1-22-13-6-2-11(3-7-13)15-10-19(16(23)18-15)12-4-8-14(9-5-12)24(17,20)21/h2-10H,1H3,(H,18,23)(H2,17,20,21)
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35n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008322
PNG
(CHEMBL3235165)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+
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36n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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37n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008350
PNG
(CHEMBL3235176)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S2/c16-11-3-1-10(2-4-11)14-9-19(15(22)18-14)12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,22)(H2,17,20,21)
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37n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50008346
PNG
(CHEMBL3235174)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-11-3-1-10(2-4-11)14-9-19(15(20)18-14)12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H,18,20)(H2,17,21,22)
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38n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50008322
PNG
(CHEMBL3235165)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+
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39n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008354
PNG
(CHEMBL3235177)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(cc2)S(N)(=O)=O)c(=S)[nH]1
Show InChI InChI=1S/C16H15N3O3S2/c1-22-13-6-2-11(3-7-13)15-10-19(16(23)18-15)12-4-8-14(9-5-12)24(17,20)21/h2-10H,1H3,(H,18,23)(H2,17,20,21)
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274n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008332
PNG
(CHEMBL3235168)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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275n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008322
PNG
(CHEMBL3235165)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+
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276n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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294n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008349
PNG
(CHEMBL3235175)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c16-22(19,20)13-8-6-12(7-9-13)18-10-14(17-15(18)21)11-4-2-1-3-5-11/h1-10H,(H,17,21)(H2,16,19,20)
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296n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008323
PNG
(CHEMBL3235166)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+
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297n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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300n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008322
PNG
(CHEMBL3235165)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+
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302n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008346
PNG
(CHEMBL3235174)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-11-3-1-10(2-4-11)14-9-19(15(20)18-14)12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H,18,20)(H2,17,21,22)
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336n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008332
PNG
(CHEMBL3235168)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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336n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008350
PNG
(CHEMBL3235176)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S2/c16-11-3-1-10(2-4-11)14-9-19(15(22)18-14)12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,22)(H2,17,20,21)
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351n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008345
PNG
(CHEMBL3235173)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)13-8-6-12(7-9-13)18-10-14(17-15(18)19)11-4-2-1-3-5-11/h1-10H,(H,17,19)(H2,16,20,21)
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375n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008327
PNG
(CHEMBL3235167)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O4S/c19-18(20,21)17(25)10-11-23(12-16(24)13-4-2-1-3-5-13)14-6-8-15(9-7-14)28(22,26)27/h1-11H,12H2,(H2,22,26,27)/b11-10+
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397n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008323
PNG
(CHEMBL3235166)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+
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405n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008338
PNG
(CHEMBL3235170)
Show SMILES Cc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-13-2-4-14(5-3-13)17(25)12-24(11-10-18(26)19(20,21)22)15-6-8-16(9-7-15)29(23,27)28/h2-11H,12H2,1H3,(H2,23,27,28)/b11-10+
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408n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008354
PNG
(CHEMBL3235177)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(cc2)S(N)(=O)=O)c(=S)[nH]1
Show InChI InChI=1S/C16H15N3O3S2/c1-22-13-6-2-11(3-7-13)15-10-19(16(23)18-15)12-4-8-14(9-5-12)24(17,20)21/h2-10H,1H3,(H,18,23)(H2,17,20,21)
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411n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008340
PNG
(CHEMBL3235171)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O5S2/c1-2-26-18(23)20-17(27)21(12-16(22)13-6-4-3-5-7-13)14-8-10-15(11-9-14)28(19,24)25/h3-11H,2,12H2,1H3,(H2,19,24,25)(H,20,23,27)
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415n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008334
PNG
(CHEMBL3235169)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(F)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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419n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008327
PNG
(CHEMBL3235167)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccccc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O4S/c19-18(20,21)17(25)10-11-23(12-16(24)13-4-2-1-3-5-13)14-6-8-15(9-7-14)28(22,26)27/h1-11H,12H2,(H2,22,26,27)/b11-10+
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421n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008334
PNG
(CHEMBL3235169)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(F)cc1)\C=C\C(=O)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+
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433n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008338
PNG
(CHEMBL3235170)
Show SMILES Cc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-13-2-4-14(5-3-13)17(25)12-24(11-10-18(26)19(20,21)22)15-6-8-16(9-7-15)29(23,27)28/h2-11H,12H2,1H3,(H2,23,27,28)/b11-10+
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455n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008346
PNG
(CHEMBL3235174)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-11-3-1-10(2-4-11)14-9-19(15(20)18-14)12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H,18,20)(H2,17,21,22)
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497n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008350
PNG
(CHEMBL3235176)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S2/c16-11-3-1-10(2-4-11)14-9-19(15(22)18-14)12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,22)(H2,17,20,21)
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498n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008340
PNG
(CHEMBL3235171)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O5S2/c1-2-26-18(23)20-17(27)21(12-16(22)13-6-4-3-5-7-13)14-8-10-15(11-9-14)28(19,24)25/h3-11H,2,12H2,1H3,(H2,19,24,25)(H,20,23,27)
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498n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50008343
PNG
(CHEMBL3235172)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18ClN3O5S2/c1-2-27-18(24)21-17(28)22(11-16(23)12-3-5-13(19)6-4-12)14-7-9-15(10-8-14)29(20,25)26/h3-10H,2,11H2,1H3,(H2,20,25,26)(H,21,24,28)
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510n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008349
PNG
(CHEMBL3235175)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c16-22(19,20)13-8-6-12(7-9-13)18-10-14(17-15(18)21)11-4-2-1-3-5-11/h1-10H,(H,17,21)(H2,16,19,20)
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521n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008345
PNG
(CHEMBL3235173)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)13-8-6-12(7-9-13)18-10-14(17-15(18)19)11-4-2-1-3-5-11/h1-10H,(H,17,19)(H2,16,20,21)
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572n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50008343
PNG
(CHEMBL3235172)
Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18ClN3O5S2/c1-2-27-18(24)21-17(28)22(11-16(23)12-3-5-13(19)6-4-12)14-7-9-15(10-8-14)29(20,25)26/h3-10H,2,11H2,1H3,(H2,20,25,26)(H,21,24,28)
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593n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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2.80E+4n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1776-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.030
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%