Target Validation Information
TTD ID T43920
Target Name Carbonic anhydrase (CA)
Type of Target
Successful
Drug Potency against Target Acetazolamide Drug Info Ki = 1.8 nM [29]
Dichlorphenamide Drug Info EC50 = 2500 nM [28]
(2-bromophenyl)difluoromethanesulfonamide Drug Info Ki = 714 nM [4]
(4-bromophenyl)difluoromethanesulfonamide Drug Info Ki = 982 nM [4]
1-(3,4-dichlorophenyl)-3-hydroxyurea Drug Info Ki = 910 nM [6]
2,3-dihydro-1H-indene-5-sulfonamide Drug Info Ki = 5.1 nM [8]
2,4-Disulfamyltrifluoromethylaniline Drug Info Ki = 926 nM [14]
2,5-difluorophenol Drug Info Ki = 10800 nM [10]
2-acetamido-2,3-dihydro-1H-indene-5-sulfonic acid Drug Info Ki = 7.1 nM [8]
2-amino-2,3-dihydro-1H-indene-5-sulfonamide Drug Info Ki = 1.6 nM [8]
2-Amino-benzenesulfonamide Drug Info Ki = 8805 nM [14]
2-Amino-indan-5-sulfonic acid Drug Info Ki = 8 nM [8]
2-hydrazinylbenzenesulfonamide Drug Info Ki = 6895 nM [14]
2-oxo-2H-chromene-3-carboxylic acid Drug Info Ki = 6600 nM [21]
2-oxo-2H-thiochromene-3-carboxylic acid Drug Info Ki = 7700 nM [21]
3,5-difluorophenol Drug Info Ki = 11300 nM [9]
3-(4-sulfamoylphenyl)propanoic acid Drug Info Ki = 1277 nM [17]
3-Amino-benzenesulfonamide Drug Info Ki = 1240 nM [2]
3-bromophenyl-difluoromethanesulfonamide Drug Info Ki = 160 nM [4]
3-Nitro-benzenesulfonamide Drug Info IC50 = 780 nM [1]
4-(2-AMINOETHYL)BENZENESULFONAMIDE Drug Info Ki = 43 nM [3]
4-(2-aminopyrimidin-4-ylamino)benzenesulfonamide Drug Info Ki = 67 nM [14]
4-(2-Hydroxy-ethyl)-benzenesulfonamide Drug Info Ki = 4660 nM [14]
4-(2-Phenylacetamido)-3-bromobenzenesulfonamide Drug Info Ki = 5.9 nM [18]
4-(2-Phenylacetamido)-3-chlorobenzenesulfonamide Drug Info Ki = 8.1 nM [18]
4-(2-Phenylacetamido)-3-fluorobenzenesulfonamide Drug Info Ki = 8.1 nM [18]
4-(2-Phenylacetamido)benzenesulfonamide Drug Info Ki = 7.9 nM [18]
4-(2-Phenylacetamidoethyl)benzenesulfonamide Drug Info Ki = 8.2 nM [18]
4-(2-Phenylacetamidomethyl)benzenesulfonamide Drug Info Ki = 8.3 nM [18]
4-(2-Pyridin-2-ylacetamido)benzenesulfonamide Drug Info Ki = 6.8 nM [18]
4-(2-Pyridin-4-ylacetamido)benzenesulfonamide Drug Info Ki = 9 nM [18]
4-(hydroxymethyl)benzenesulfonamide Drug Info Ki = 4560 nM [14]
4-amino-3,5-dibromobenzenesulfonamide Drug Info Ki = 10700 nM [7]
4-Amino-3-bromo-benzenesulfonamide Drug Info Ki = 83 nM [14]
4-Amino-3-chloro-benzenesulfonamide Drug Info Ki = 62 nM [14]
4-amino-3-fluoro-5-iodobenzenesulfonamide Drug Info Ki = 19000 nM [7]
4-Amino-3-fluoro-benzenesulfonamide Drug Info Ki = 79 nM [14]
4-Amino-3-iodo-benzenesulfonamide Drug Info Ki = 72 nM [14]
4-amino-6-chlorobenzene-1,3-disulfonamide Drug Info Ki = 757 nM [14]
4-amino-N-(4-sulfamoylbenzyl)benzenesulfonamide Drug Info Ki = 49 nM [14]
4-AMINOPHENOL Drug Info Ki = 9500 nM [10]
4-azidobenzenesulfonamide Drug Info Ki = 55.8 nM [12]
4-bromophenylboronic acid Drug Info Ki = 15900 nM [16]
4-butylphenylboronic acid Drug Info Ki = 8000 nM [16]
4-CYANOPHENOL Drug Info Ki = 6700 nM [10]
4-Hydrazino-benzenesulfonamide Drug Info Ki = 9540 nM [14]
4-methoxyphenylboronic acid Drug Info Ki = 15600 nM [16]
4-methylphenyl-difluoromethanesulfonamide Drug Info Ki = 128 nM [4]
4-Nitro-benzenesulfonamide Drug Info IC50 = 4200 nM [1]
4-nitrophenyl phosphate Drug Info IC50 = 1050 nM [27]
4-nitrophenyl-difluoromethanesulfonamide Drug Info Ki = 153 nM [4]
4-phenoxyphenylboronic acid Drug Info Ki = 8600 nM [16]
4-Thiocyanato-benzenesulfonamide Drug Info IC50 = 8600 nM [1]
4-[2-(2-Thienyl)acetamidoethyl]benzenesulfonamide Drug Info Ki = 8 nM [18]
4-[2-(2-Thienyl)acetamido]benzenesulfonamide Drug Info Ki = 7 nM [18]
6-(aminomethyl)-2H-chromen-2-one Drug Info Ki = 8600 nM [21]
6-(hydroxymethyl)-2H-chromen-2-one Drug Info Ki = 4700 nM [21]
6-Hydroxy-benzothiazole-2-sulfonic acid amide Drug Info Ki = 64 nM [14]
6-methoxy-2-oxo-2H-chromene-3-carboxylic acid Drug Info Ki = 9000 nM [21]
6-methyl-2-oxo-2H-chromene-3-carboxylic acid Drug Info Ki = 1700 nM [21]
7-(benzyloxy)-2H-chromen-2-one Drug Info Ki = 8100 nM [21]
7-butoxy-2H-chromen-2-one Drug Info Ki = 7300 nM [21]
7-methoxy-2-oxo-2H-chromene-4-carboxylic acid Drug Info Ki = 7600 nM [21]
7-phenethoxy-2H-chromen-2-one Drug Info Ki = 9000 nM [21]
7-propoxy-2H-chromen-2-one Drug Info Ki = 8600 nM [21]
8-methoxy-2-oxo-2H-chromene-3-carboxylic acid Drug Info Ki = 17700 nM [21]
BENZOLAMIDE Drug Info Ki = 70 nM [14]
Benzothiazole-2-sulfonic acid amide Drug Info Ki = 4 nM [3]
Beta-naphthylboronic acid Drug Info Ki = 9300 nM [16]
Biphenyl-4-ylboronic acid Drug Info Ki = 7800 nM [16]
Carzenide Drug Info Ki = 4650 nM [14]
CATECHIN Drug Info Ki = 7680 nM [26]
CATECHOL Drug Info Ki = 13000 nM [22]
CL-5343 Drug Info Ki = 48 nM [25]
CLIOQUINOL Drug Info Ki = 2330 nM [9]
COUMARIN Drug Info Ki = 5600 nM [21]
Coumate Drug Info Ki = 1050 nM [11]
Curcumin Drug Info Ki = 5090 nM [26]
Decane-1,10-diyl disulfamate Drug Info Ki = 960 nM [19]
Decyl sulfamate Drug Info Ki = 956 nM [19]
ELLAGIC ACID Drug Info Ki = 10300 nM [22]
ETHOXYCOUMARIN Drug Info Ki = 9000 nM [21]
Ethyl 7-methoxy-2-oxo-2H-chromene-3-carboxylate Drug Info Ki = 9700 nM [21]
FERULIC ACID Drug Info Ki = 11100 nM [22]
GALLICACID Drug Info Ki = 7490 nM [22]
HERNIARIN Drug Info Ki = 5100 nM [21]
Hexane-1,6-diamine Drug Info Ki = 660 nM [24]
INDISULAM Drug Info Ki = 72 nM [14]
N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamide Drug Info Ki = 18700 nM [13]
N-(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamide Drug Info Ki = 7500 nM [13]
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfamide Drug Info Ki = 2800 nM [13]
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]sulfamide Drug Info Ki = 9300 nM [13]
N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]sulfamide Drug Info Ki = 2900 nM [13]
N1-(2-aminoethyl)ethane-1,2-diamine Drug Info Ki = 11500 nM [24]
N1-(naphthalen-1-yl)ethane-1,2-diamine Drug Info Ki = 570 nM [24]
Octane-1,8-diyl disulfamate Drug Info Ki = 569 nM [19]
Octyl sulfamate Drug Info Ki = 1125 nM [19]
P-Coumaric Acid Drug Info Ki = 7570 nM [22]
P-toluenesulfonamide Drug Info Ki = 7990 nM [14]
P-tolylboronic acid Drug Info Ki = 9000 nM [16]
PARABEN Drug Info Ki = 6610 nM [22]
PARAOXON Drug Info IC50 = 1021 nM [27]
Pentane-1,5-diamine Drug Info Ki = 650 nM [24]
PHENOL Drug Info Ki = 10500 nM [26]
Phenyl Boronic acid Drug Info Ki = 8300 nM [5]
Phenylarsonic acid Drug Info Ki = 12500 nM [5]
PHENYLDIFLUOROMETHANESULFONAMIDE Drug Info Ki = 785 nM [4]
PHENYLMETHANESULFONAMIDE Drug Info Ki = 1580 nM [4]
PRONTOCIL Drug Info Ki = 2300 nM [7]
RESORCINOL Drug Info Ki = 8700 nM [10]
SACCHARIN Drug Info Ki = 792 nM [20]
Salicyclic acid Drug Info Ki = 7200 nM [9]
Sodium maleate Drug Info Ki = 8600 nM [15]
SPERMINE Drug Info Ki = 710 nM [24]
SULFAMATE Drug Info Ki = 9500 nM [5]
SULFAMIDE Drug Info Ki = 6800 nM [23]
Sulfamylon Drug Info Ki = 970 nM [14]
Syringic Acid Drug Info Ki = 8580 nM [22]
References
REF 1 Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5703-7.
REF 2 Carbonic anhydrase inhibitors. Inhibition of the prokariotic beta and gamma-class enzymes from Archaea with sulfonamides. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6001-6.
REF 3 Carbonic anhydrase inhibitors. Inhibition of the human cytosolic isozyme VII with aromatic and heterocyclic sulfonamides. Bioorg Med Chem Lett. 2005 Feb 15;15(4):971-6.
REF 4 Carbonic anhydrase inhibitors: inhibition of the human isozymes I, II, VA, and IX with a library of substituted difluoromethanesulfonamides. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5192-6.
REF 5 Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3139-43.
REF 6 N-hydroxyurea--a versatile zinc binding function in the design of metalloenzyme inhibitors. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4316-20.
REF 7 Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36.
REF 8 Indanesulfonamides as carbonic anhydrase inhibitors and anticonvulsant agents: structure-activity relationship and pharmacological evaluation. Eur J Med Chem. 2008 Dec;43(12):2853-60.
REF 9 Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.
REF 10 Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Bioorg Med Chem. 2008 Aug 1;16(15):7424-8.
REF 11 Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-r... Bioorg Med Chem Lett. 2008 Aug 1;18(15):4282-6.
REF 12 Inhibition of human mitochondrial carbonic anhydrases VA and VB with para-(4-phenyltriazole-1-yl)-benzenesulfonamide derivatives. Bioorg Med Chem Lett. 2008 Aug 15;18(16):4624-7.
REF 13 Carbonic anhydrase inhibitors: 2-substituted-1,3,4-thiadiazole-5-sulfamides act as powerful and selective inhibitors of the mitochondrial isozymes ... Bioorg Med Chem Lett. 2008 Dec 15;18(24):6332-5.
REF 14 Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV. J Med Chem. 2009 Feb 12;52(3):646-54.
REF 15 Carbonic anhydrase inhibitors. Inhibition of the beta-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with ali... Bioorg Med Chem. 2009 Apr 1;17(7):2654-7.
REF 16 Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids. Bioorg Med Chem Lett. 2009 May 15;19(10):2642-5.
REF 17 Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. Bioorg Med Chem. 2009 Jul 1;17(13):4503-9.
REF 18 Carbonic anhydrase inhibitors. Aromatic/heterocyclic sulfonamides incorporating phenacetyl, pyridylacetyl and thienylacetyl tails act as potent inh... Bioorg Med Chem. 2009 Jul 15;17(14):4894-9.
REF 19 Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-bi... J Med Chem. 2009 Oct 8;52(19):5990-8.
REF 20 Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, ... Bioorg Med Chem Lett. 2009 Dec 1;19(23):6649-54.
REF 21 Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins. J Med Chem. 2010 Jan 14;53(1):335-44.
REF 22 Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-2164.
REF 23 Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mamm... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3601-5.
REF 24 Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem. 2010 Aug 12;53(15):5511-22.
REF 25 Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a l... Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81.
REF 26 Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
REF 27 Paraoxon, 4-nitrophenyl phosphate and acetate are substrates of - but not of -, - and -carbonic anhydrases. Bioorg Med Chem Lett. 2010 Nov 1;20(21):6208-12.
REF 28 Development and validation of an in silico P450 profiler based on pharmacophore models. Curr Drug Discov Technol. 2006 Mar;3(1):1-48.
REF 29 Carbonic anhydrase inhibitors as anticonvulsant agents. Curr Top Med Chem. 2007;7(9):855-64.

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