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Compile Data Set for Download or QSAR

Found 186 hits of Enz. Inhib. data with enzyme = 'Carbonic anhydrase 2' and Substrate = 'BDBM11326'   
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 2


(Homo sapiens (human))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
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0.200n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14723
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCc1cc(cc(CC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C23H24N5O4S3/c1-3-18-14-17(16-8-6-5-7-9-16)15-19(4-2)28(18)20-10-12-21(13-11-20)35(31,32)27-22-25-26-23(33-22)34(24,29)30/h5-15H,3-4H2,1-2H3,(H,25,27)(H2,24,29,30)/q+1
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0.210n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14718
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(C)[n+](c(C)c1)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C16H18N5O4S3/c1-10-8-11(2)21(12(3)9-10)13-4-6-14(7-5-13)28(24,25)20-15-18-19-16(26-15)27(17,22)23/h4-9H,1-3H3,(H,18,20)(H2,17,22,23)/q+1
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0.260n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14736
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(C)[n+](c(C)c1C)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N5O4S3/c1-10-9-11(2)22(13(4)12(10)3)14-5-7-15(8-6-14)29(25,26)21-16-19-20-17(27-16)28(18,23)24/h5-9H,1-4H3,(H,19,21)(H2,18,23,24)/q+1
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0.300n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14719
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CC(C)c1cc(C)cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N5O4S3/c1-11(2)16-10-12(3)9-13(4)23(16)14-5-7-15(8-6-14)30(26,27)22-17-20-21-18(28-17)29(19,24)25/h5-11H,1-4H3,(H,20,22)(H2,19,24,25)/q+1
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0.390n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11387
PNG
(2,3,4,5,6-pentafluoro-N-hydroxybenzene-1-sulfonami...)
Show SMILES ONS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)16(14,15)12-13/h12-13H
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0.800n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11389
PNG
(2-(hydroxysulfamoyl)benzoic acid | Hydroxysulfonam...)
Show SMILES ONS(=O)(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C7H7NO5S/c9-7(10)5-3-1-2-4-6(5)14(12,13)8-11/h1-4,8,11H,(H,9,10)
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0.900n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11617
PNG
(5-(4-Acetamido-3-chlorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10ClN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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1n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11616
PNG
(5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10FN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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1n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11388
PNG
(Hydroxysulfonamide 69 | N-hydroxy-3-(trifluorometh...)
Show SMILES ONS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6F3NO3S/c8-7(9,10)5-2-1-3-6(4-5)15(13,14)11-12/h1-4,11-12H
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1.10n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14728
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C27H24N5O4S3/c1-2-22-17-21(19-9-5-3-6-10-19)18-25(20-11-7-4-8-12-20)32(22)23-13-15-24(16-14-23)39(35,36)31-26-29-30-27(37-26)38(28,33)34/h3-18H,2H2,1H3,(H,29,31)(H2,28,33,34)/q+1
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1.14n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14727
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H22N5O4S3/c1-18-16-21(19-8-4-2-5-9-19)17-24(20-10-6-3-7-11-20)31(18)22-12-14-23(15-13-22)38(34,35)30-25-28-29-26(36-25)37(27,32)33/h2-17H,1H3,(H,28,30)(H2,27,32,33)/q+1
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1.21n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14737
PNG
(2,3,6-trimethyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-...)
Show SMILES Cc1cc(c(C)c(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H22N5O4S3/c1-14-13-20(17-7-5-4-6-8-17)15(2)16(3)27(14)18-9-11-19(12-10-18)34(30,31)26-21-24-25-22(32-21)33(23,28)29/h4-13H,1-3H3,(H,24,26)(H2,23,28,29)/q+1
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1.24n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11634
PNG
(2,3,4,5,6-pentafluoro-N-(3-methyl-5-sulfamoyl-2,3-...)
Show SMILES Cn1nc(sc1=NC(=O)c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C10H5F5N4O3S2/c1-19-9(23-10(18-19)24(16,21)22)17-8(20)2-3(11)5(13)7(15)6(14)4(2)12/h1H3,(H2,16,21,22)
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1.5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14720
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C20H26N5O4S3/c1-12(2)17-10-14(5)11-18(13(3)4)25(17)15-6-8-16(9-7-15)32(28,29)24-19-22-23-20(30-19)31(21,26)27/h6-13H,1-5H3,(H,22,24)(H2,21,26,27)/q+1
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1.54n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14726
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H28N5O4S3/c1-16(2)22-14-19(18-8-6-5-7-9-18)15-23(17(3)4)30(22)20-10-12-21(13-11-20)37(33,34)29-24-27-28-25(35-24)36(26,31)32/h5-17H,1-4H3,(H,27,29)(H2,26,31,32)/q+1
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1.61n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16670
PNG
(2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadia...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
Show InChI InChI=1S/C9H3F5N4O3S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(19)16-8-17-18-9(22-8)23(15,20)21/h(H2,15,20,21)(H,16,17,19)
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2n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11618
PNG
(5-(4-Acetamido-3-bromobenzenesulfonamido)-1,3,4-th...)
Show SMILES CC(=O)Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10BrN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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2n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2.04n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11615
PNG
(N-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H11N5O5S3/c1-6(16)12-7-2-4-8(5-3-7)23(19,20)15-9-13-14-10(21-9)22(11,17)18/h2-5H,1H3,(H,12,16)(H,13,15)(H2,11,17,18)
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3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14721
PNG
(2,6-di-tert-butyl-4-methyl-1-{4-[(5-sulfamoyl-1,3,...)
Show SMILES Cc1cc([n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C22H30N5O4S3/c1-14-12-17(21(2,3)4)27(18(13-14)22(5,6)7)15-8-10-16(11-9-15)34(30,31)26-19-24-25-20(32-19)33(23,28)29/h8-13H,1-7H3,(H,24,26)(H2,23,28,29)/q+1
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3.13n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14724
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCCc1cc(cc(CCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H28N5O4S3/c1-3-8-21-16-19(18-10-6-5-7-11-18)17-22(9-4-2)30(21)20-12-14-23(15-13-20)37(33,34)29-24-27-28-25(35-24)36(26,31)32/h5-7,10-17H,3-4,8-9H2,1-2H3,(H,27,29)(H2,26,31,32)/q+1
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3.45n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14730
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CC(C)c1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C28H26N5O4S3/c1-19(2)25-17-22(20-9-5-3-6-10-20)18-26(21-11-7-4-8-12-21)33(25)23-13-15-24(16-14-23)40(36,37)32-27-30-31-28(38-27)39(29,34)35/h3-19H,1-2H3,(H,30,32)(H2,29,34,35)/q+1
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3.74n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14729
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C28H26N5O4S3/c1-2-9-24-18-22(20-10-5-3-6-11-20)19-26(21-12-7-4-8-13-21)33(24)23-14-16-25(17-15-23)40(36,37)32-27-30-31-28(38-27)39(29,34)35/h3-8,10-19H,2,9H2,1H3,(H,30,32)(H2,29,34,35)/q+1
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3.90n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11381
PNG
(3-chloro-N-hydroxy-4-nitrobenzene-1-sulfonamide | ...)
Show SMILES ONS(=O)(=O)c1ccc(c(Cl)c1)N(=O)=O
Show InChI InChI=1S/C6H5ClN2O5S/c7-5-3-4(15(13,14)8-10)1-2-6(5)9(11)12/h1-3,8,10H
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4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14732
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CC(C)(C)c1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C29H28N5O4S3/c1-29(2,3)26-19-22(20-10-6-4-7-11-20)18-25(21-12-8-5-9-13-21)34(26)23-14-16-24(17-15-23)41(37,38)33-27-31-32-28(39-27)40(30,35)36/h4-19H,1-3H3,(H,31,33)(H2,30,35,36)/q+1
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4.11n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14725
PNG
(2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...)
Show SMILES CCCCc1cc(cc(CCCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C27H32N5O4S3/c1-3-5-12-23-18-21(20-10-8-7-9-11-20)19-24(13-6-4-2)32(23)22-14-16-25(17-15-22)39(35,36)31-26-29-30-27(37-26)38(28,33)34/h7-11,14-19H,3-6,12-13H2,1-2H3,(H,29,31)(H2,28,33,34)/q+1
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4.62n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14733
PNG
(4-methyl-2,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thi...)
Show SMILES Cc1cc(-c2ccccc2)[n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C26H22N5O4S3/c1-18-16-23(19-8-4-2-5-9-19)31(24(17-18)20-10-6-3-7-11-20)21-12-14-22(15-13-21)38(34,35)30-25-28-29-26(36-25)37(27,32)33/h2-17H,1H3,(H,28,30)(H2,27,32,33)/q+1
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4.78n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14735
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2c(cccc2-c2ccccc2)-c2ccccc2)s1
Show InChI InChI=1S/C25H20N5O4S3/c26-36(31,32)25-28-27-24(35-25)29-37(33,34)21-16-14-20(15-17-21)30-22(18-8-3-1-4-9-18)12-7-13-23(30)19-10-5-2-6-11-19/h1-17H,(H,27,29)(H2,26,31,32)/q+1
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4.93n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14731
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C29H28N5O4S3/c1-2-3-14-25-19-23(21-10-6-4-7-11-21)20-27(22-12-8-5-9-13-22)34(25)24-15-17-26(18-16-24)41(37,38)33-28-31-32-29(39-28)40(30,35)36/h4-13,15-20H,2-3,14H2,1H3,(H,31,33)(H2,30,35,36)/q+1
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4.95n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11379
PNG
(Hydroxysulfonamide 60 | N-hydroxy-3-nitrobenzene-1...)
Show SMILES ONS(=O)(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C6H6N2O5S/c9-7-14(12,13)6-3-1-2-5(4-6)8(10)11/h1-4,7,9H
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5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11380
PNG
(Hydroxysulfonamide 61 | N-hydroxy-2-nitrobenzene-1...)
Show SMILES ONS(=O)(=O)c1ccccc1N(=O)=O
Show InChI InChI=1S/C6H6N2O5S/c9-7-14(12,13)6-4-2-1-3-5(6)8(10)11/h1-4,7,9H
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5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14734
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2c(cc(cc2-c2ccccc2)-c2ccccc2)-c2ccccc2)s1
Show InChI InChI=1S/C31H24N5O4S3/c32-42(37,38)31-34-33-30(41-31)35-43(39,40)27-18-16-26(17-19-27)36-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(36)24-14-8-3-9-15-24/h1-21H,(H,33,35)(H2,32,37,38)/q+1
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5.96n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16671
PNG
(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Show SMILES Cn1nc(s\c1=N\C(=O)c1ccco1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N4O4S2/c1-12-7(17-8(11-12)18(9,14)15)10-6(13)5-3-2-4-16-5/h2-4H,1H3,(H2,9,14,15)/b10-7+
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6n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11327
PNG
(Hydroxamate 8 | N-Pentafluorophenylsulfonyl-glycin...)
Show SMILES ONC(=O)CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C8H5F5N2O4S/c9-3-4(10)6(12)8(7(13)5(3)11)20(18,19)14-1-2(16)15-17/h14,17H,1H2,(H,15,16)
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8n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11333
PNG
(Hydroxamate 14 | N-hydroxy-2-[(2,3,4,5,6-pentafluo...)
Show SMILES CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C9H7F5N2O4S/c1-2(9(17)15-18)16-21(19,20)8-6(13)4(11)3(10)5(12)7(8)14/h2,16,18H,1H3,(H,15,17)
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8n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11369
PNG
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-...)
Show SMILES ONS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C8H2F17NO3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)30(28,29)26-27/h26-27H
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9n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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9n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16661
PNG
(1-N-(4-fluorobenzene)benzene-1,4-disulfonamide | a...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C12H11FN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
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9n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11378
PNG
(Hydroxysulfonamide 59 | N-hydroxy-4-nitrobenzene-1...)
Show SMILES ONS(=O)(=O)c1ccc(cc1)N(=O)=O
Show InChI InChI=1S/C6H6N2O5S/c9-7-14(12,13)6-3-1-5(2-4-6)8(10)11/h1-4,7,9H
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9n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16662
PNG
(1-N-(4-nitrobenzene)benzene-1,4-disulfonamide | ar...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H11N3O6S2/c13-22(18,19)11-5-1-9(2-6-11)14-23(20,21)12-7-3-10(4-8-12)15(16)17/h1-8,14H,(H2,13,18,19)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16666
PNG
(2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-chromene-3...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H16N2O5S/c19-26(23,24)14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)25-18(15)22/h1-8,11H,9-10H2,(H,20,21)(H2,19,23,24)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11345
PNG
(Hydroxamate 26 | N-hydroxy-4-methyl-2-[(2,3,4,5,6-...)
Show SMILES CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C12H13F5N2O4S/c1-4(2)3-5(12(20)18-21)19-24(22,23)11-9(16)7(14)6(13)8(15)10(11)17/h4-5,19,21H,3H2,1-2H3,(H,18,20)
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11n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11339
PNG
(Hydroxamate 20 | N-hydroxy-3-methyl-2-[(2,3,4,5,6-...)
Show SMILES CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C11H11F5N2O4S/c1-3(2)9(11(19)17-20)18-23(21,22)10-7(15)5(13)4(12)6(14)8(10)16/h3,9,18,20H,1-2H3,(H,17,19)
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11n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
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