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12 molecules are shown

Wt: 318.3
BDBM54376
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Wt: 305.3
BDBM50334343
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Wt: 316.3
BDBM50334345
Wt: 316.3
BDBM50334346
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Wt: 367.4
BDBM50334348
Wt: 370.2
BDBM50334355
Wt: 359.3
BDBM50334357
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Wt: 333.3
BDBM50334360
Wt: 333.4
BDBM50334362
Wt: 347.4
BDBM50334363
Wt: 403.5
BDBM50334365
Wt: 319.3
BDBM50334353
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 90 hits for monomerid = 54376,50334343,50334345,50334346,50334348,50334355,50334357,50334360,50334362,50334363,50334365,50334353   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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0.300n/an/an/an/an/an/an/an/a



BC Cancer Agency



Assay Description
The inhibition constants (Ki) of FEC to four human CA isoenzymes I, II, IX and XII were determined by CA catalyzed CO2 hydration assays following pre...


J Enzyme Inhib Med Chem 29: 249-55 (2014)


Article DOI: 10.3109/14756366.2013.773994
BindingDB Entry DOI: 10.7270/Q2VM4B6X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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0.300n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334357
PNG
(4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
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2.30n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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2.40n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334360
PNG
(4-(3-(4-acetylphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
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4.60n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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4.60n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM54376
PNG
(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O
Show InChI InChI=1S/C18H22O5/c1-3-5-6-7-8-12-9-13-10-14(17(20)22-4-2)18(21)23-16(13)11-15(12)19/h9-11,19H,3-8H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM54376
PNG
(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O
Show InChI InChI=1S/C18H22O5/c1-3-5-6-7-8-12-9-13-10-14(17(20)22-4-2)18(21)23-16(13)11-15(12)19/h9-11,19H,3-8H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334360
PNG
(4-(3-(4-acetylphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
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5.40n/an/an/an/an/an/an/an/a



BC Cancer Agency



Assay Description
The inhibition constants (Ki) of FEC to four human CA isoenzymes I, II, IX and XII were determined by CA catalyzed CO2 hydration assays following pre...


J Enzyme Inhib Med Chem 29: 249-55 (2014)


Article DOI: 10.3109/14756366.2013.773994
BindingDB Entry DOI: 10.7270/Q2VM4B6X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334360
PNG
(4-(3-(4-acetylphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
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5.40n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334345
PNG
(4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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6n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334353
PNG
(4-(3-(3,5-dimethylphenyl)ureido)benzenesulfonamide...)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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6.20n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334357
PNG
(4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
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6.20n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334345
PNG
(4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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6.5n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334353
PNG
(4-(3-(3,5-dimethylphenyl)ureido)benzenesulfonamide...)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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6.90n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50334355
PNG
(4-(3-(4-bromophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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7.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334355
PNG
(4-(3-(4-bromophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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7.90n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50334348
PNG
(4-(3-biphenyl-2-ylureido)benzenesulfonamide | 4-[(...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
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9.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50334348
PNG
(4-(3-biphenyl-2-ylureido)benzenesulfonamide | 4-[(...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
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9.70n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50334357
PNG
(4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
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9.70n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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11n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334363
PNG
(4-(3-(4-butylphenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H21N3O3S/c1-2-3-4-13-5-7-14(8-6-13)19-17(21)20-15-9-11-16(12-10-15)24(18,22)23/h5-12H,2-4H2,1H3,(H2,18,22,23)(H2,19,20,21)
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29n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334343
PNG
(4-(3-benzylureido)benzenesulfonamide | 4-{[(Benzyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
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41n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334365
PNG
(4-(3-(4-octylphenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES CCCCCCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O3S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)23-21(25)24-19-13-15-20(16-14-19)28(22,26)27/h9-16H,2-8H2,1H3,(H2,22,26,27)(H2,23,24,25)
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47n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50334345
PNG
(4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334343
PNG
(4-(3-benzylureido)benzenesulfonamide | 4-{[(Benzyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
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50n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334362
PNG
(4-(3-(4-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)12-3-5-13(6-4-12)18-16(20)19-14-7-9-15(10-8-14)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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50n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334365
PNG
(4-(3-(4-octylphenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES CCCCCCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O3S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)23-21(25)24-19-13-15-20(16-14-19)28(22,26)27/h9-16H,2-8H2,1H3,(H2,22,26,27)(H2,23,24,25)
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53n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50334345
PNG
(4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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57n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334362
PNG
(4-(3-(4-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)12-3-5-13(6-4-12)18-16(20)19-14-7-9-15(10-8-14)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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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 Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM54376
PNG
(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O
Show InChI InChI=1S/C18H22O5/c1-3-5-6-7-8-12-9-13-10-14(17(20)22-4-2)18(21)23-16(13)11-15(12)19/h9-11,19H,3-8H2,1-2H3
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58n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM54376
PNG
(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O
Show InChI InChI=1S/C18H22O5/c1-3-5-6-7-8-12-9-13-10-14(17(20)22-4-2)18(21)23-16(13)11-15(12)19/h9-11,19H,3-8H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334363
PNG
(4-(3-(4-butylphenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H21N3O3S/c1-2-3-4-13-5-7-14(8-6-13)19-17(21)20-15-9-11-16(12-10-15)24(18,22)23/h5-12H,2-4H2,1H3,(H2,18,22,23)(H2,19,20,21)
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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 Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334345
PNG
(4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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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 Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50334345
PNG
(4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50334348
PNG
(4-(3-biphenyl-2-ylureido)benzenesulfonamide | 4-[(...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
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65n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50334345
PNG
(4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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65n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334348
PNG
(4-(3-biphenyl-2-ylureido)benzenesulfonamide | 4-[(...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
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66n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50334357
PNG
(4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
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69n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334355
PNG
(4-(3-(4-bromophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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69n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334360
PNG
(4-(3-(4-acetylphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
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75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334365
PNG
(4-(3-(4-octylphenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES CCCCCCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O3S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)23-21(25)24-19-13-15-20(16-14-19)28(22,26)27/h9-16H,2-8H2,1H3,(H2,22,26,27)(H2,23,24,25)
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81n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334355
PNG
(4-(3-(4-bromophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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87n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50334343
PNG
(4-(3-benzylureido)benzenesulfonamide | 4-{[(Benzyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
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92n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50334353
PNG
(4-(3-(3,5-dimethylphenyl)ureido)benzenesulfonamide...)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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315n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334363
PNG
(4-(3-(4-butylphenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H21N3O3S/c1-2-3-4-13-5-7-14(8-6-13)19-17(21)20-15-9-11-16(12-10-15)24(18,22)23/h5-12H,2-4H2,1H3,(H2,18,22,23)(H2,19,20,21)
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376n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50334360
PNG
(4-(3-(4-acetylphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
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388n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50334343
PNG
(4-(3-benzylureido)benzenesulfonamide | 4-{[(Benzyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
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440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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463n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
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