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PubMed code 26233796

Compile data set for download or QSAR
Found 68 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 9


(Homo sapiens (Human))
BDBM50109271
PNG
(CHEMBL3601534)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O4S/c1-14-3-2-4-16(13-14)21-9-11-22(12-10-21)18(23)20-15-5-7-17(8-6-15)26-27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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0.910n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109270
PNG
(CHEMBL3601535)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1C
Show InChI InChI=1S/C19H24N4O4S/c1-14-4-3-5-18(15(14)2)22-10-12-23(13-11-22)19(24)21-16-6-8-17(9-7-16)27-28(20,25)26/h3-9H,10-13H2,1-2H3,(H,21,24)(H2,20,25,26)
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109156
PNG
(CHEMBL3601539)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34)
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109157
PNG
(CHEMBL3601538)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31)
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109148
PNG
(CHEMBL3601530)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O4S/c19-27(24,25)26-17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109154
PNG
(CHEMBL3601540)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32)
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109154
PNG
(CHEMBL3601540)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32)
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109147
PNG
(CHEMBL3601531)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109268
PNG
(CHEMBL3601537)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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1.10n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109156
PNG
(CHEMBL3601539)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34)
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1.10n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109157
PNG
(CHEMBL3601538)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31)
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1.20n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (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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5.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

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


(Homo sapiens (Human))
BDBM50109151
PNG
(CHEMBL3601543)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
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6.30n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109154
PNG
(CHEMBL3601540)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32)
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6.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109152
PNG
(CHEMBL3601542)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)
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7.10n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109153
PNG
(CHEMBL3601541)
Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,19,23)
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7.90n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109150
PNG
(CHEMBL3601544)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
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8.60n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109268
PNG
(CHEMBL3601537)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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9.10n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109146
PNG
(CHEMBL3601532)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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9.40n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109149
PNG
(CHEMBL3601545)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)
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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 carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109272
PNG
(CHEMBL3601533)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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10n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109269
PNG
(CHEMBL3601536)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-17-4-2-3-15(13-17)21-9-11-22(12-10-21)18(23)20-14-5-7-16(8-6-14)27-28(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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11n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109270
PNG
(CHEMBL3601535)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1C
Show InChI InChI=1S/C19H24N4O4S/c1-14-4-3-5-18(15(14)2)22-10-12-23(13-11-22)19(24)21-16-6-8-17(9-7-16)27-28(20,25)26/h3-9H,10-13H2,1-2H3,(H,21,24)(H2,20,25,26)
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11n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109147
PNG
(CHEMBL3601531)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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11n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109148
PNG
(CHEMBL3601530)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O4S/c19-27(24,25)26-17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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11n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

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


(Homo sapiens (Human))
BDBM50109148
PNG
(CHEMBL3601530)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O4S/c19-27(24,25)26-17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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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 carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109271
PNG
(CHEMBL3601534)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O4S/c1-14-3-2-4-16(13-14)21-9-11-22(12-10-21)18(23)20-15-5-7-17(8-6-15)26-27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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16n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109272
PNG
(CHEMBL3601533)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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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 carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109146
PNG
(CHEMBL3601532)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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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 carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109156
PNG
(CHEMBL3601539)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34)
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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 carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109270
PNG
(CHEMBL3601535)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1C
Show InChI InChI=1S/C19H24N4O4S/c1-14-4-3-5-18(15(14)2)22-10-12-23(13-11-22)19(24)21-16-6-8-17(9-7-16)27-28(20,25)26/h3-9H,10-13H2,1-2H3,(H,21,24)(H2,20,25,26)
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32n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109269
PNG
(CHEMBL3601536)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-17-4-2-3-15(13-17)21-9-11-22(12-10-21)18(23)20-14-5-7-16(8-6-14)27-28(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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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 carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109271
PNG
(CHEMBL3601534)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O4S/c1-14-3-2-4-16(13-14)21-9-11-22(12-10-21)18(23)20-15-5-7-17(8-6-15)26-27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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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 carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109151
PNG
(CHEMBL3601543)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
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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 carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109269
PNG
(CHEMBL3601536)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-17-4-2-3-15(13-17)21-9-11-22(12-10-21)18(23)20-14-5-7-16(8-6-14)27-28(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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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 carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109146
PNG
(CHEMBL3601532)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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62n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109270
PNG
(CHEMBL3601535)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1C
Show InChI InChI=1S/C19H24N4O4S/c1-14-4-3-5-18(15(14)2)22-10-12-23(13-11-22)19(24)21-16-6-8-17(9-7-16)27-28(20,25)26/h3-9H,10-13H2,1-2H3,(H,21,24)(H2,20,25,26)
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64n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109146
PNG
(CHEMBL3601532)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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65n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109154
PNG
(CHEMBL3601540)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32)
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70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109147
PNG
(CHEMBL3601531)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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72n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109150
PNG
(CHEMBL3601544)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
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81n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109152
PNG
(CHEMBL3601542)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)
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82n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50109272
PNG
(CHEMBL3601533)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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85n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109269
PNG
(CHEMBL3601536)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-17-4-2-3-15(13-17)21-9-11-22(12-10-21)18(23)20-14-5-7-16(8-6-14)27-28(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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88n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109153
PNG
(CHEMBL3601541)
Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,19,23)
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94n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109153
PNG
(CHEMBL3601541)
Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,19,23)
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113n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109157
PNG
(CHEMBL3601538)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31)
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114n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109268
PNG
(CHEMBL3601537)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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114n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109152
PNG
(CHEMBL3601542)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)
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121n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109157
PNG
(CHEMBL3601538)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31)
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277n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109268
PNG
(CHEMBL3601537)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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282n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109156
PNG
(CHEMBL3601539)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34)
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291n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109152
PNG
(CHEMBL3601542)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)
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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 carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109148
PNG
(CHEMBL3601530)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O4S/c19-27(24,25)26-17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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317n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109150
PNG
(CHEMBL3601544)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
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520n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50109149
PNG
(CHEMBL3601545)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)
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549n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109272
PNG
(CHEMBL3601533)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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581n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109151
PNG
(CHEMBL3601543)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
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800n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109271
PNG
(CHEMBL3601534)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N4O4S/c1-14-3-2-4-16(13-14)21-9-11-22(12-10-21)18(23)20-15-5-7-17(8-6-15)26-27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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852n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109147
PNG
(CHEMBL3601531)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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897n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109149
PNG
(CHEMBL3601545)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)
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1.43E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109149
PNG
(CHEMBL3601545)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)
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5.30E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50109151
PNG
(CHEMBL3601543)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
PubMed
5.94E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109150
PNG
(CHEMBL3601544)
Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50109153
PNG
(CHEMBL3601541)
Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5619-25 (2015)

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