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Compile Data Set for Download or QSAR

Found 141 hits Enz. Inhib. hit(s) with all data for entry = 1325   
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 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



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
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 |r|
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



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(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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6 -46.9n/an/an/an/an/a7.525



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
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



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
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



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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9n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
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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10n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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12n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10902
PNG
(2-N-(4-tert-butylbenzene)-1,3,4-thiadiazole-2,5-di...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N4O4S3/c1-12(2,3)8-4-6-9(7-5-8)23(19,20)16-10-14-15-11(21-10)22(13,17)18/h4-7H,1-3H3,(H,14,16)(H2,13,17,18)
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12n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10896
PNG
(4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N4O3S2/c1-13(2,3)9-6-4-8(5-7-9)10(18)15-11-16-17-12(21-11)22(14,19)20/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18)
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13n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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14n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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15n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10902
PNG
(2-N-(4-tert-butylbenzene)-1,3,4-thiadiazole-2,5-di...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N4O4S3/c1-12(2,3)8-4-6-9(7-5-8)23(19,20)16-10-14-15-11(21-10)22(13,17)18/h4-7H,1-3H3,(H,14,16)(H2,13,17,18)
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15n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10896
PNG
(4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N4O3S2/c1-13(2,3)9-6-4-8(5-7-9)10(18)15-11-16-17-12(21-11)22(14,19)20/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18)
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18n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10869
PNG
(5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...)
Show SMILES Cn1nc(sc1=N)S(N)(=O)=O
Show InChI InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)
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19n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
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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21n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(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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25n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
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27n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10874
PNG
(6-hydroxy-1,3-benzothiazole-2-sulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
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30n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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31n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10900
PNG
(4-(4-tert-Butylphenylsulfonamidomethyl)benzenesulf...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-17(2,3)14-6-10-16(11-7-14)25(22,23)19-12-13-4-8-15(9-5-13)24(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21)
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31n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10873
PNG
(4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...)
Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
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33n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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35n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10889
PNG
(2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-su...)
Show SMILES COc1ccc(cc1C(=O)NCC1CCCN1C)S(N)(=O)=O
Show InChI InChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)
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40n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10864
PNG
(4-Amino-3-bromobenzenesulfonamide | 4-amino-3-brom...)
Show SMILES Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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40n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10871
PNG
(4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
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46n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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49n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10872
PNG
(4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)
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50n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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50n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10895
PNG
(4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
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51n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10876
PNG
(4-(hydroxymethyl)benzene-1-sulfonamide | CHEMBL691...)
Show SMILES NS(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
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55n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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56n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10862
PNG
(4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-flu...)
Show SMILES Nc1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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60n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10899
PNG
(1-N-(4-tert-butylbenzene)benzene-1,4-disulfonamide...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-16(2,3)12-4-8-15(9-5-12)24(21,22)18-13-6-10-14(11-7-13)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
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60n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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60n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10894
PNG
(4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulf...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)
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62n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10866
PNG
(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Show SMILES Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
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63n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10865
PNG
(4-Amino-3-iodobenzenesulfonamide | 4-amino-3-iodob...)
Show SMILES Nc1ccc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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70n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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75n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10893
PNG
(4-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
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79n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10876
PNG
(4-(hydroxymethyl)benzene-1-sulfonamide | CHEMBL691...)
Show SMILES NS(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
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80n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10873
PNG
(4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...)
Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
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84n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
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94n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10874
PNG
(6-hydroxy-1,3-benzothiazole-2-sulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
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95n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10900
PNG
(4-(4-tert-Butylphenylsulfonamidomethyl)benzenesulf...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-17(2,3)14-6-10-16(11-7-14)25(22,23)19-12-13-4-8-15(9-5-13)24(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21)
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104n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CARBONIC ANHYDRASE


(Helicobacter pylori J99)
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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105n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10873
PNG
(4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...)
Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
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109n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
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