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Compile Data Set for Download or QSAR

Found 259 hits Enz. Inhib. hit(s) with Target = 'Beta-carbonic anhydrase'   
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
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258299
PNG
(1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophe...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H17F5N4O3S/c1-9-6-10(2)32(11(3)7-9)31-23(33)22-15(16-17(24)19(26)21(28)20(27)18(16)25)13-8-12(36(29,34)35)4-5-14(13)30-22/h4-8H,1-3H3,(H3-,29,30,31,33,34,35)/p+1
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5.10n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50315410
PNG
(2-(hydrazinyl(hydroxy)methyl)-3-(perfluorophenyl)-...)
Show SMILES NNC(O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C15H11F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,15,23-25H,21H2,(H2,22,26,27)
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7.5n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258588
PNG
(1-(3-(2-fluorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2F)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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19n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Helicobacter pylori (strain G27))
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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20n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant CA


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258635
PNG
(1-(3-(4-fluorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(F)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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21n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158520
PNG
(CHEMBL3785289)
Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O5S/c1-18-13-7-4-10(19(21)22)8-12(13)14(15(18)20)17-9-2-5-11(6-3-9)25(16,23)24/h2-8H,1H3,(H2,16,23,24)/b17-14-
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22n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258634
PNG
(1-(3-(3-fluorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(F)c2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21FN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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24n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Vibrio cholerae)
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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27n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for...


Bioorg Med Chem 23: 4831-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.029
BindingDB Entry DOI: 10.7270/Q20V8FK8
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Vibrio cholerae)
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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27n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine - CNR

Curated by ChEMBL


Assay Description
Inhibition of Flaveria bidentis recombinant CA by CO2 hydration assay


Bioorg Med Chem Lett 23: 4067-71 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.063
BindingDB Entry DOI: 10.7270/Q2HX1F27
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Vibrio cholerae)
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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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 6706-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.037
BindingDB Entry DOI: 10.7270/Q2XP76CZ
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Porphyromonas gingivalis JCVI SC001)
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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27 -42.5n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Porphyromonas gingivalis beta carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258678
PNG
(1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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29n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258637
PNG
(1-(3-(3-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Cl)c2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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31n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258636
PNG
(1-(3-(2-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Cl)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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33n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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34n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158509
PNG
(CHEMBL3785846)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-3-1-2-8(6-10)16-13-11-7-9(18(20)21)4-5-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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36n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Porphyromonas gingivalis JCVI SC001)
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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40 -41.5n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Helicobacter pylori beta carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Helicobacter pylori (strain G27))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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41n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant CA


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258716
PNG
(1-({[5-(Aminosulfonyl)-3-(4-bromophenyl)-1H-indol-...)
Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-5-7-18(8-6-14)22-20-13-19(32(25,30)31)9-10-21(20)26-23(22)24(29)27-28-16(3)11-15(2)12-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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41n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258587
PNG
(1-(([5-(Aminosulfonyl)-3-phenyl-1H-indol-2-yl]carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H22N4O3S/c1-14-11-15(2)27(16(3)12-14)26-23(28)22-21(17-7-5-4-6-8-17)19-13-18(31(24,29)30)9-10-20(19)25-22/h4-13H,1-3H3,(H3-,24,25,26,28,29,30)/p+1
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42n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25906
PNG
(2-(hydrazinecarbonyl)-3-(3-methylphenyl)-1H-indole...)
Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
Show InChI InChI=1S/C16H16N4O3S/c1-9-3-2-4-10(7-9)14-12-8-11(24(18,22)23)5-6-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
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43n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25911
PNG
(3-(2-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C15H13ClN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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45n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258679
PNG
(1-(3-(2-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Br)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21BrN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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45n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25908
PNG
(3-(2-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1F)S(N)(=O)=O
Show InChI InChI=1S/C15H13FN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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47n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258680
PNG
(1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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48n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25907
PNG
(2-(hydrazinecarbonyl)-3-(4-methylphenyl)-1H-indole...)
Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
Show InChI InChI=1S/C16H16N4O3S/c1-9-2-4-10(5-3-9)14-12-8-11(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
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52n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25912
PNG
(3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Cl)c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13ClN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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52n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258681
PNG
(1-(3-(4-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Br)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21BrN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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53n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25909
PNG
(3-(3-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13FN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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54n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158519
PNG
(CHEMBL3787255)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C15H10F3N3O4S/c16-15(17,18)25-9-3-6-12-11(7-9)13(14(22)21-12)20-8-1-4-10(5-2-8)26(19,23)24/h1-7H,(H2,19,23,24)(H,20,21,22)
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54n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25913
PNG
(3-(4-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Cl)cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13ClN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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55n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158529
PNG
(CHEMBL3787586)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H10ClN3O3S/c15-8-4-5-12-11(6-8)13(14(19)18-12)17-9-2-1-3-10(7-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)
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55n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50428619
PNG
(CHEMBL2331755)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
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55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50428618
PNG
(CHEMBL2331756)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
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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 recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25910
PNG
(3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(F)cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13FN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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61n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158527
PNG
(CHEMBL3785591)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C14H10FN3O3S/c15-8-4-5-12-11(6-8)13(14(19)18-12)17-9-2-1-3-10(7-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)
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61n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258714
PNG
(1-({[5-(Aminosulfonyl)-3-(2-bromophenyl)-1H-indol-...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2C)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C24H24N4O3S/c1-14-11-16(3)28(17(4)12-14)27-24(29)23-22(19-8-6-5-7-15(19)2)20-13-18(32(25,30)31)9-10-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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62n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258715
PNG
(1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...)
Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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64n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158524
PNG
(CHEMBL3786965)
Show SMILES NS(=O)(=O)c1ccccc1\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H10ClN3O3S/c15-8-5-6-10-9(7-8)13(14(19)18-10)17-11-3-1-2-4-12(11)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)
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66n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Helicobacter pylori (strain G27))
BDBM10873
PNG
(4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...)
Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
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72n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant CA


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50428621
PNG
(CHEMBL2331768)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158511
PNG
(CHEMBL3785209)
Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-10-6-8-11(9-7-10)22(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-14-
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76n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50433076
PNG
(CHEMBL2376275)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-17-8-5-15(6-9-17)22-20(24)23-16-7-10-19-14(12-16)11-13-3-1-2-4-18(13)19/h1-10,12H,11H2,(H2,21,25,26)(H2,22,23,24)
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50433075
PNG
(CHEMBL2376276)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C16H10F9N3O4S/c17-14(18,19)9-5-6-10(12(16(23,24)25)11(9)15(20,21)22)28-13(29)27-7-1-3-8(4-2-7)32-33(26,30)31/h1-6H,(H2,26,30,31)(H2,27,28,29)
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25905
PNG
(2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole...)
Show SMILES Cc1ccccc1-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
Show InChI InChI=1S/C16H16N4O3S/c1-9-4-2-3-5-11(9)14-12-8-10(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
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78n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158515
PNG
(CHEMBL3786969)
Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C15H12FN3O3S/c1-19-13-7-2-9(16)8-12(13)14(15(19)20)18-10-3-5-11(6-4-10)23(17,21)22/h2-8H,1H3,(H2,17,21,22)/b18-14-
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79n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM25914
PNG
(3-(2-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Br)S(N)(=O)=O
Show InChI InChI=1S/C15H13BrN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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81n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158516
PNG
(CHEMBL3787472)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H10ClN3O3S/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)
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83n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50158513
PNG
(CHEMBL3785654)
Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(C)ccc12
Show InChI InChI=1S/C16H15N3O3S/c1-10-3-8-14-13(9-10)15(16(20)19(14)2)18-11-4-6-12(7-5-11)23(17,21)22/h3-9H,1-2H3,(H2,17,21,22)/b18-15-
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84n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50387134
PNG
(4-ureidophenyl sulfamate ring derivative 3s | CHEM...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1
Show InChI InChI=1S/C13H10BrF2N3O4S/c14-10-5-7(15)6-11(16)12(10)19-13(20)18-8-1-3-9(4-2-8)23-24(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
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84n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
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