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PubMed code 21361354

Compile data set for download or QSAR
Found 112 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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0.5n/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 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


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


(Homo sapiens (Human))
BDBM50334364
PNG
(4-(3-(4-butoxyphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H21N3O4S/c1-2-3-12-24-15-8-4-13(5-9-15)19-17(21)20-14-6-10-16(11-7-14)25(18,22)23/h4-11H,2-3,12H2,1H3,(H2,18,22,23)(H2,19,20,21)
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0.800n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
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0.900n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334364
PNG
(4-(3-(4-butoxyphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H21N3O4S/c1-2-3-12-24-15-8-4-13(5-9-15)19-17(21)20-14-6-10-16(11-7-14)25(18,22)23/h4-11H,2-3,12H2,1H3,(H2,18,22,23)(H2,19,20,21)
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2.10n/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
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
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



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


(Homo sapiens (Human))
BDBM50334342
PNG
(4-(3-(2,3-dihydro-1H-inden-5-yl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C16H17N3O3S/c17-23(21,22)15-8-6-13(7-9-15)18-16(20)19-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,17,21,22)(H2,18,19,20)
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2.5n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334364
PNG
(4-(3-(4-butoxyphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H21N3O4S/c1-2-3-12-24-15-8-4-13(5-9-15)19-17(21)20-14-6-10-16(11-7-14)25(18,22)23/h4-11H,2-3,12H2,1H3,(H2,18,22,23)(H2,19,20,21)
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2.5n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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3.30n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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4.20n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334356
PNG
(4-(3-(4-iodophenyl)ureido)benzenesulfonamide | 4-{...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H12IN3O3S/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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4.30n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/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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4.5n/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
More data for this
Ligand-Target Pair
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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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5.10n/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
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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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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
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



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


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
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5.70n/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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334350
PNG
(4-(3-(4-methoxy-2-methylphenyl)ureido)benzenesulfo...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(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 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


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


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
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7n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334342
PNG
(4-(3-(2,3-dihydro-1H-inden-5-yl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C16H17N3O3S/c17-23(21,22)15-8-6-13(7-9-15)18-16(20)19-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,17,21,22)(H2,18,19,20)
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7n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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7.10n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
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7.30n/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 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


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


(Homo sapiens (Human))
BDBM50334342
PNG
(4-(3-(2,3-dihydro-1H-inden-5-yl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C16H17N3O3S/c17-23(21,22)15-8-6-13(7-9-15)18-16(20)19-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,17,21,22)(H2,18,19,20)
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8.90n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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9n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
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



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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334342
PNG
(4-(3-(2,3-dihydro-1H-inden-5-yl)ureido)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C16H17N3O3S/c17-23(21,22)15-8-6-13(7-9-15)18-16(20)19-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,17,21,22)(H2,18,19,20)
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9.80n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334364
PNG
(4-(3-(4-butoxyphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H21N3O4S/c1-2-3-12-24-15-8-4-13(5-9-15)19-17(21)20-14-6-10-16(11-7-14)25(18,22)23/h4-11H,2-3,12H2,1H3,(H2,18,22,23)(H2,19,20,21)
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



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


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
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15n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
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23n/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
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



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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334356
PNG
(4-(3-(4-iodophenyl)ureido)benzenesulfonamide | 4-{...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H12IN3O3S/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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25n/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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334358
PNG
(4-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)benzen...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F6N3O3S/c16-14(17,18)8-5-9(15(19,20)21)7-11(6-8)24-13(25)23-10-1-3-12(4-2-10)28(22,26)27/h1-7H,(H2,22,26,27)(H2,23,24,25)
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39n/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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/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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45n/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
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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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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 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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334358
PNG
(4-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)benzen...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F6N3O3S/c16-14(17,18)8-5-9(15(19,20)21)7-11(6-8)24-13(25)23-10-1-3-12(4-2-10)28(22,26)27/h1-7H,(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 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


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


(Homo sapiens (Human))
BDBM50334351
PNG
(4-(3-9H-fluoren-2-ylureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1
Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)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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55n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334344
PNG
(4-(3-benzhydrylureido)benzenesulfonamide | 4-{[(Be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
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59n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334359
PNG
(4-(3-(2-methoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-21-13-5-3-2-4-12(13)17-14(18)16-10-6-8-11(9-7-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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61n/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
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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334344
PNG
(4-(3-benzhydrylureido)benzenesulfonamide | 4-{[(Be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
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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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM16654
PNG
(1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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67n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334350
PNG
(4-(3-(4-methoxy-2-methylphenyl)ureido)benzenesulfo...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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73n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334358
PNG
(4-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)benzen...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F6N3O3S/c16-14(17,18)8-5-9(15(19,20)21)7-11(6-8)24-13(25)23-10-1-3-12(4-2-10)28(22,26)27/h1-7H,(H2,22,26,27)(H2,23,24,25)
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75n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334344
PNG
(4-(3-benzhydrylureido)benzenesulfonamide | 4-{[(Be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
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83n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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85n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334350
PNG
(4-(3-(4-methoxy-2-methylphenyl)ureido)benzenesulfo...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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89n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334359
PNG
(4-(3-(2-methoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-21-13-5-3-2-4-12(13)17-14(18)16-10-6-8-11(9-7-10)22(15,19)20/h2-9H,1H3,(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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/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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96n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334351
PNG
(4-(3-9H-fluoren-2-ylureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1
Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)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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102n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
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226n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334359
PNG
(4-(3-(2-methoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-21-13-5-3-2-4-12(13)17-14(18)16-10-6-8-11(9-7-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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465n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
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470n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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536n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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541n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM16654
PNG
(1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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575n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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604n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM16654
PNG
(1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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760n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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781n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334351
PNG
(4-(3-9H-fluoren-2-ylureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1
Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)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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908n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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1.06E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(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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1.15E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(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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1.17E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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1.29E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(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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1.47E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334351
PNG
(4-(3-9H-fluoren-2-ylureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1
Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)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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1.70E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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1.77E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(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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2.15E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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2.20E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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2.40E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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2.49E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334356
PNG
(4-(3-(4-iodophenyl)ureido)benzenesulfonamide | 4-{...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H12IN3O3S/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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2.63E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334350
PNG
(4-(3-(4-methoxy-2-methylphenyl)ureido)benzenesulfo...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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3.31E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334358
PNG
(4-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)benzen...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F6N3O3S/c16-14(17,18)8-5-9(15(19,20)21)7-11(6-8)24-13(25)23-10-1-3-12(4-2-10)28(22,26)27/h1-7H,(H2,22,26,27)(H2,23,24,25)
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3.69E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334344
PNG
(4-(3-benzhydrylureido)benzenesulfonamide | 4-{[(Be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
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3.73E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM16654
PNG
(1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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3.73E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334359
PNG
(4-(3-(2-methoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-21-13-5-3-2-4-12(13)17-14(18)16-10-6-8-11(9-7-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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4.07E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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4.33E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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5.01E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/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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5.08E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334356
PNG
(4-(3-(4-iodophenyl)ureido)benzenesulfonamide | 4-{...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H12IN3O3S/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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5.50E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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5.53E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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6.53E+3n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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9.60E+3n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%