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PubMed code 25267005

Compile data set for download or QSAR
Found 70 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))
BDBM50029078
PNG
(CHEMBL3343272)
Show SMILES COc1cc(ccc1\C=N\CCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-16-10-14(19(20)21)5-4-13(16)11-18-9-8-12-2-6-15(7-3-12)25(17,22)23/h2-7,10-11H,8-9H2,1H3,(H2,17,22,23)/b18-11+
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4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029081
PNG
(CHEMBL3343275)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C16H15N3O2S/c17-11-14-1-3-15(4-2-14)12-19-10-9-13-5-7-16(8-6-13)22(18,20)21/h1-8,12H,9-10H2,(H2,18,20,21)/b19-12+
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029080
PNG
(CHEMBL3343274)
Show SMILES CSc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O2S2/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12+
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029079
PNG
(CHEMBL3343273)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C20H19N3O2S/c21-26(24,25)19-10-6-16(7-11-19)12-14-22-15-17-4-8-18(9-5-17)20-3-1-2-13-23-20/h1-11,13,15H,12,14H2,(H2,21,24,25)/b22-15+
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029070
PNG
(CHEMBL3343264)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccccc2)c(F)c1
Show InChI InChI=1S/C13H11FN2O2S/c14-12-8-11(19(15,17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-9H,(H2,15,17,18)/b16-9+
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029079
PNG
(CHEMBL3343273)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C20H19N3O2S/c21-26(24,25)19-10-6-16(7-11-19)12-14-22-15-17-4-8-18(9-5-17)20-3-1-2-13-23-20/h1-11,13,15H,12,14H2,(H2,21,24,25)/b22-15+
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029084
PNG
(CHEMBL3343268)
Show SMILES [Na+].NS(=O)(=O)c1ccc(CC\N=C\c2ccc(o2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N2O6S2.Na/c14-22(16,17)12-4-1-10(2-5-12)7-8-15-9-11-3-6-13(21-11)23(18,19)20;/h1-6,9H,7-8H2,(H2,14,16,17)(H,18,19,20);/q;+1/p-1/b15-9+;
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54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029082
PNG
(CHEMBL3343276)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c[nH]c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+
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56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029070
PNG
(CHEMBL3343264)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccccc2)c(F)c1
Show InChI InChI=1S/C13H11FN2O2S/c14-12-8-11(19(15,17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-9H,(H2,15,17,18)/b16-9+
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029071
PNG
(CHEMBL3343265)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccco2)c(F)c1
Show InChI InChI=1S/C11H9FN2O3S/c12-10-6-9(18(13,15)16)3-4-11(10)14-7-8-2-1-5-17-8/h1-7H,(H2,13,15,16)/b14-7+
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029077
PNG
(CHEMBL3343271)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(Br)cc2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-13-4-3-12(15(19)9-13)10-18-8-7-11-1-5-14(6-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
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106n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029072
PNG
(CHEMBL3343266)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccc(cc2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H15FN2O2S/c20-18-12-17(25(21,23)24)10-11-19(18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H2,21,23,24)/b22-13+
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113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029081
PNG
(CHEMBL3343275)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C16H15N3O2S/c17-11-14-1-3-15(4-2-14)12-19-10-9-13-5-7-16(8-6-13)22(18,20)21/h1-8,12H,9-10H2,(H2,18,20,21)/b19-12+
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123n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029077
PNG
(CHEMBL3343271)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(Br)cc2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-13-4-3-12(15(19)9-13)10-18-8-7-11-1-5-14(6-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
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143n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029078
PNG
(CHEMBL3343272)
Show SMILES COc1cc(ccc1\C=N\CCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-16-10-14(19(20)21)5-4-13(16)11-18-9-8-12-2-6-15(7-3-12)25(17,22)23/h2-7,10-11H,8-9H2,1H3,(H2,17,22,23)/b18-11+
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154n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
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162n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029071
PNG
(CHEMBL3343265)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccco2)c(F)c1
Show InChI InChI=1S/C11H9FN2O3S/c12-10-6-9(18(13,15)16)3-4-11(10)14-7-8-2-1-5-17-8/h1-7H,(H2,13,15,16)/b14-7+
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165n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029078
PNG
(CHEMBL3343272)
Show SMILES COc1cc(ccc1\C=N\CCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-16-10-14(19(20)21)5-4-13(16)11-18-9-8-12-2-6-15(7-3-12)25(17,22)23/h2-7,10-11H,8-9H2,1H3,(H2,17,22,23)/b18-11+
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168n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029084
PNG
(CHEMBL3343268)
Show SMILES [Na+].NS(=O)(=O)c1ccc(CC\N=C\c2ccc(o2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N2O6S2.Na/c14-22(16,17)12-4-1-10(2-5-12)7-8-15-9-11-3-6-13(21-11)23(18,19)20;/h1-6,9H,7-8H2,(H2,14,16,17)(H,18,19,20);/q;+1/p-1/b15-9+;
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193n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029068
PNG
(CHEMBL3343263)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-21(18,19)13-7-5-12(6-8-13)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-10H,(H2,16,18,19)/b17-9+
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197n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
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213n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029078
PNG
(CHEMBL3343272)
Show SMILES COc1cc(ccc1\C=N\CCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-16-10-14(19(20)21)5-4-13(16)11-18-9-8-12-2-6-15(7-3-12)25(17,22)23/h2-7,10-11H,8-9H2,1H3,(H2,17,22,23)/b18-11+
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215n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029080
PNG
(CHEMBL3343274)
Show SMILES CSc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O2S2/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12+
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241n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029073
PNG
(CHEMBL3343267)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+
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244n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029071
PNG
(CHEMBL3343265)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccco2)c(F)c1
Show InChI InChI=1S/C11H9FN2O3S/c12-10-6-9(18(13,15)16)3-4-11(10)14-7-8-2-1-5-17-8/h1-7H,(H2,13,15,16)/b14-7+
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248n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029075
PNG
(CHEMBL3343269)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(Br)c2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-3-1-2-12(15(14)19)10-18-9-8-11-4-6-13(7-5-11)22(17,20)21/h1-7,10,19H,8-9H2,(H2,17,20,21)/b18-10+
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251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029073
PNG
(CHEMBL3343267)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+
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307n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029071
PNG
(CHEMBL3343265)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccco2)c(F)c1
Show InChI InChI=1S/C11H9FN2O3S/c12-10-6-9(18(13,15)16)3-4-11(10)14-7-8-2-1-5-17-8/h1-7H,(H2,13,15,16)/b14-7+
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349n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029079
PNG
(CHEMBL3343273)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C20H19N3O2S/c21-26(24,25)19-10-6-16(7-11-19)12-14-22-15-17-4-8-18(9-5-17)20-3-1-2-13-23-20/h1-11,13,15H,12,14H2,(H2,21,24,25)/b22-15+
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403n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029076
PNG
(CHEMBL3343270)
Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
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438n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029075
PNG
(CHEMBL3343269)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(Br)c2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-3-1-2-12(15(14)19)10-18-9-8-11-4-6-13(7-5-11)22(17,20)21/h1-7,10,19H,8-9H2,(H2,17,20,21)/b18-10+
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498n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029072
PNG
(CHEMBL3343266)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccc(cc2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H15FN2O2S/c20-18-12-17(25(21,23)24)10-11-19(18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H2,21,23,24)/b22-13+
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498n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029070
PNG
(CHEMBL3343264)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccccc2)c(F)c1
Show InChI InChI=1S/C13H11FN2O2S/c14-12-8-11(19(15,17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-9H,(H2,15,17,18)/b16-9+
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499n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029082
PNG
(CHEMBL3343276)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c[nH]c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+
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596n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029072
PNG
(CHEMBL3343266)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccc(cc2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H15FN2O2S/c20-18-12-17(25(21,23)24)10-11-19(18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H2,21,23,24)/b22-13+
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611n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029068
PNG
(CHEMBL3343263)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-21(18,19)13-7-5-12(6-8-13)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-10H,(H2,16,18,19)/b17-9+
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614n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
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617n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
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652n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029068
PNG
(CHEMBL3343263)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-21(18,19)13-7-5-12(6-8-13)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-10H,(H2,16,18,19)/b17-9+
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664n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029077
PNG
(CHEMBL3343271)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(Br)cc2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-13-4-3-12(15(19)9-13)10-18-8-7-11-1-5-14(6-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
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666n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
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682n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029076
PNG
(CHEMBL3343270)
Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
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697n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029073
PNG
(CHEMBL3343267)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+
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701n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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707n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029080
PNG
(CHEMBL3343274)
Show SMILES CSc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O2S2/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12+
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709n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029070
PNG
(CHEMBL3343264)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccccc2)c(F)c1
Show InChI InChI=1S/C13H11FN2O2S/c14-12-8-11(19(15,17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-9H,(H2,15,17,18)/b16-9+
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710n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029081
PNG
(CHEMBL3343275)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C16H15N3O2S/c17-11-14-1-3-15(4-2-14)12-19-10-9-13-5-7-16(8-6-13)22(18,20)21/h1-8,12H,9-10H2,(H2,18,20,21)/b19-12+
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713n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029079
PNG
(CHEMBL3343273)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C20H19N3O2S/c21-26(24,25)19-10-6-16(7-11-19)12-14-22-15-17-4-8-18(9-5-17)20-3-1-2-13-23-20/h1-11,13,15H,12,14H2,(H2,21,24,25)/b22-15+
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1.35E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029072
PNG
(CHEMBL3343266)
Show SMILES NS(=O)(=O)c1ccc(\N=C\c2ccc(cc2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H15FN2O2S/c20-18-12-17(25(21,23)24)10-11-19(18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H2,21,23,24)/b22-13+
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1.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029082
PNG
(CHEMBL3343276)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c[nH]c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+
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1.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029076
PNG
(CHEMBL3343270)
Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
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1.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029082
PNG
(CHEMBL3343276)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c[nH]c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+
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1.88E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029081
PNG
(CHEMBL3343275)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C16H15N3O2S/c17-11-14-1-3-15(4-2-14)12-19-10-9-13-5-7-16(8-6-13)22(18,20)21/h1-8,12H,9-10H2,(H2,18,20,21)/b19-12+
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2.19E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
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2.63E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029080
PNG
(CHEMBL3343274)
Show SMILES CSc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O2S2/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12+
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2.94E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029068
PNG
(CHEMBL3343263)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-21(18,19)13-7-5-12(6-8-13)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-10H,(H2,16,18,19)/b17-9+
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3.06E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029077
PNG
(CHEMBL3343271)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(Br)cc2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-13-4-3-12(15(19)9-13)10-18-8-7-11-1-5-14(6-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
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4.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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4.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
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4.37E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029076
PNG
(CHEMBL3343270)
Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
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4.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029075
PNG
(CHEMBL3343269)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(Br)c2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-3-1-2-12(15(14)19)10-18-9-8-11-4-6-13(7-5-11)22(17,20)21/h1-7,10,19H,8-9H2,(H2,17,20,21)/b18-10+
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5.34E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029073
PNG
(CHEMBL3343267)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+
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7.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029075
PNG
(CHEMBL3343269)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(Br)c2O)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-3-1-2-12(15(14)19)10-18-9-8-11-4-6-13(7-5-11)22(17,20)21/h1-7,10,19H,8-9H2,(H2,17,20,21)/b18-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%