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10 similar compounds to monomer 10881

Compile data set for download or QSAR
Wt: 562.7
BDBM11050
Wt: 282.3
BDBM11051
Wt: 265.3
BDBM50080741
Wt: 308.3
BDBM50080715
Wt: 251.2
BDBM50080654
Wt: 307.3
BDBM50080635
Wt: 320.4
BDBM50108586
Wt: 309.3
BDBM50292153
Wt: 352.3
BDBM50292033
Wt: 236.2
BDBM50013792
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 11050,11051,50080741,50080715,50080654,50080635,50108586,50292153,50292033,50013792   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM11051
PNG
(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Show SMILES Cn1nc(sc1=NC(=O)CCS)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O3S3/c1-10-5(8-4(11)2-3-14)15-6(9-10)16(7,12)13/h14H,2-3H2,1H3,(H2,7,12,13)/b8-5+
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3.20n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



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: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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3.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080635
PNG
(2-(N-Methyl-guanidino)-N-[3-methyl-5-sulfamoyl-3H-...)
Show SMILES CN(CC(=O)N=c1sc(nn1C)S(N)(=O)=O)C(N)=N
Show InChI InChI=1S/C7H13N7O3S2/c1-13(5(8)9)3-4(15)11-6-14(2)12-7(18-6)19(10,16)17/h3H2,1-2H3,(H3,8,9)(H2,10,16,17)/b11-6+
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080741
PNG
(2-Methylamino-N-[3-methyl-5-sulfamoyl-3H-[1,3,4]th...)
Show SMILES CNCC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C6H11N5O3S2/c1-8-3-4(12)9-5-11(2)10-6(15-5)16(7,13)14/h8H,3H2,1-2H3,(H2,7,13,14)/b9-5-
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080715
PNG
(2-Amino-N-{[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadia...)
Show SMILES Cn1nc(sc1=NC(=O)CNC(=O)CN)S(N)(=O)=O
Show InChI InChI=1S/C7H12N6O4S2/c1-13-6(18-7(12-13)19(9,16)17)11-5(15)3-10-4(14)2-8/h2-3,8H2,1H3,(H,10,14)(H2,9,16,17)/b11-6+
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonate dehydratase


(Sulfurihydrogenibium sp. (strain YO3AOP1))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM11050
PNG
(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Show SMILES Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C12H18N8O6S6/c1-19-9(29-11(17-19)31(13,23)24)15-7(21)3-5-27-28-6-4-8(22)16-10-20(2)18-12(30-10)32(14,25)26/h3-6H2,1-2H3,(H2,13,23,24)(H2,14,25,26)/b15-9+,16-10+
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9.30n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



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: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11051
PNG
(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Show SMILES Cn1nc(sc1=NC(=O)CCS)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O3S3/c1-10-5(8-4(11)2-3-14)15-6(9-10)16(7,12)13/h14H,2-3H2,1H3,(H2,7,12,13)/b8-5+
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9.30n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



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: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11051
PNG
(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Show SMILES Cn1nc(sc1=NC(=O)CCS)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O3S3/c1-10-5(8-4(11)2-3-14)15-6(9-10)16(7,12)13/h14H,2-3H2,1H3,(H2,7,12,13)/b8-5+
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9.5 -10.8n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



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: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080654
PNG
(2-Amino-N-[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiaz...)
Show SMILES Cn1nc(sc1=NC(=O)CN)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c1-10-4(8-3(11)2-6)14-5(9-10)15(7,12)13/h2,6H2,1H3,(H2,7,12,13)/b8-4-
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50108586
PNG
(2-Propyl-pentanoic acid (3-methyl-5-sulfamoyl-3H-[...)
Show SMILES CCCC(CCC)C(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C11H20N4O3S2/c1-4-6-8(7-5-2)9(16)13-10-15(3)14-11(19-10)20(12,17)18/h8H,4-7H2,1-3H3,(H2,12,17,18)/b13-10+
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10n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on human Carbonic anhydrase II


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50292033
PNG
((2-{[(3-Methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-...)
Show SMILES Cn1nc(sc1=NC(=O)CNCCNCC(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C9H16N6O5S2/c1-15-8(21-9(14-15)22(10,19)20)13-6(16)4-11-2-3-12-5-7(17)18/h11-12H,2-5H2,1H3,(H,17,18)(H2,10,19,20)/b13-8+
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50292153
PNG
(CHEMBL34647 | {[(3-Methyl-5-sulfamoyl-3H-[1,3,4]th...)
Show SMILES Cn1nc(sc1=NC(=O)CNCC(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C7H11N5O5S2/c1-12-6(18-7(11-12)19(8,16)17)10-4(13)2-9-3-5(14)15/h9H,2-3H2,1H3,(H,14,15)(H2,8,16,17)/b10-6+
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay


Bioorg Med Chem 23: 1728-34 (2015)


Article DOI: 10.1016/j.bmc.2015.02.045
BindingDB Entry DOI: 10.7270/Q22R3T9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 526-31 (2015)


Article DOI: 10.1016/j.bmc.2014.12.009
BindingDB Entry DOI: 10.7270/Q20K2B62
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 2939-46 (2014)


Article DOI: 10.1016/j.bmc.2014.04.006
BindingDB Entry DOI: 10.7270/Q2WW7K7G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 1115-20 (2016)


Article DOI: 10.1016/j.bmc.2016.01.037
BindingDB Entry DOI: 10.7270/Q26W9CXH
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...


Bioorg Med Chem 25: 3555-3561 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...


Bioorg Med Chem Lett 27: 490-495 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.035
BindingDB Entry DOI: 10.7270/Q2PN97XS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 1253-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.023
BindingDB Entry DOI: 10.7270/Q21Z4685
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Recep Tayyip Erdogan University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 26: 1821-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.032
BindingDB Entry DOI: 10.7270/Q2GM896M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem Lett 25: 3550-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.079
BindingDB Entry DOI: 10.7270/Q23B61XS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine - CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 4537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.07.048
BindingDB Entry DOI: 10.7270/Q2959K68
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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14n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2303-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.081
BindingDB Entry DOI: 10.7270/Q2TX3H2M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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27n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase, alpha family


(Thiomicrospira crunogena (strain XCL-2))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11050
PNG
(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Show SMILES Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C12H18N8O6S6/c1-19-9(29-11(17-19)31(13,23)24)15-7(21)3-5-27-28-6-4-8(22)16-10-20(2)18-12(30-10)32(14,25)26/h3-6H2,1-2H3,(H2,13,23,24)(H2,14,25,26)/b15-9+,16-10+
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41 -9.97n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



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: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080635
PNG
(2-(N-Methyl-guanidino)-N-[3-methyl-5-sulfamoyl-3H-...)
Show SMILES CN(CC(=O)N=c1sc(nn1C)S(N)(=O)=O)C(N)=N
Show InChI InChI=1S/C7H13N7O3S2/c1-13(5(8)9)3-4(15)11-6-14(2)12-7(18-6)19(10,16)17/h3H2,1-2H3,(H3,8,9)(H2,10,16,17)/b11-6+
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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108586
PNG
(2-Propyl-pentanoic acid (3-methyl-5-sulfamoyl-3H-[...)
Show SMILES CCCC(CCC)C(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C11H20N4O3S2/c1-4-6-8(7-5-2)9(16)13-10-15(3)14-11(19-10)20(12,17)18/h8H,4-7H2,1-3H3,(H2,12,17,18)/b13-10+
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42n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on bovine Carbonic anhydrase IV


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11050
PNG
(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Show SMILES Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C12H18N8O6S6/c1-19-9(29-11(17-19)31(13,23)24)15-7(21)3-5-27-28-6-4-8(22)16-10-20(2)18-12(30-10)32(14,25)26/h3-6H2,1-2H3,(H2,13,23,24)(H2,14,25,26)/b15-9+,16-10+
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42n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



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: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080741
PNG
(2-Methylamino-N-[3-methyl-5-sulfamoyl-3H-[1,3,4]th...)
Show SMILES CNCC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C6H11N5O3S2/c1-8-3-4(12)9-5-11(2)10-6(15-5)16(7,13)14/h8H,3H2,1-2H3,(H2,7,13,14)/b9-5-
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43n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080715
PNG
(2-Amino-N-{[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadia...)
Show SMILES Cn1nc(sc1=NC(=O)CNC(=O)CN)S(N)(=O)=O
Show InChI InChI=1S/C7H12N6O4S2/c1-13-6(18-7(12-13)19(9,16)17)11-5(15)3-10-4(14)2-8/h2-3,8H2,1H3,(H,10,14)(H2,9,16,17)/b11-6+
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44n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 2939-46 (2014)


Article DOI: 10.1016/j.bmc.2014.04.006
BindingDB Entry DOI: 10.7270/Q2WW7K7G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 526-31 (2015)


Article DOI: 10.1016/j.bmc.2014.12.009
BindingDB Entry DOI: 10.7270/Q20K2B62
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2303-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.081
BindingDB Entry DOI: 10.7270/Q2TX3H2M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...


Bioorg Med Chem Lett 27: 490-495 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.035
BindingDB Entry DOI: 10.7270/Q2PN97XS
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Recep Tayyip Erdogan University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 26: 1821-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.032
BindingDB Entry DOI: 10.7270/Q2GM896M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 1115-20 (2016)


Article DOI: 10.1016/j.bmc.2016.01.037
BindingDB Entry DOI: 10.7270/Q26W9CXH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...


Bioorg Med Chem 25: 3555-3561 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine - CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 4537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.07.048
BindingDB Entry DOI: 10.7270/Q2959K68
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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50n/an/an/an/an/an/an/an/a



Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay


Bioorg Med Chem 23: 1728-34 (2015)


Article DOI: 10.1016/j.bmc.2015.02.045
BindingDB Entry DOI: 10.7270/Q22R3T9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50108586
PNG
(2-Propyl-pentanoic acid (3-methyl-5-sulfamoyl-3H-[...)
Show SMILES CCCC(CCC)C(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C11H20N4O3S2/c1-4-6-8(7-5-2)9(16)13-10-15(3)14-11(19-10)20(12,17)18/h8H,4-7H2,1-3H3,(H2,12,17,18)/b13-10+
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70n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on human carbonic anhydrase I


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080654
PNG
(2-Amino-N-[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiaz...)
Show SMILES Cn1nc(sc1=NC(=O)CN)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c1-10-4(8-3(11)2-6)14-5(9-10)15(7,12)13/h2,6H2,1H3,(H2,7,12,13)/b8-4-
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70n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50292033
PNG
((2-{[(3-Methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-...)
Show SMILES Cn1nc(sc1=NC(=O)CNCCNCC(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C9H16N6O5S2/c1-15-8(21-9(14-15)22(10,19)20)13-6(16)4-11-2-3-12-5-7(17)18/h11-12H,2-5H2,1H3,(H,17,18)(H2,10,19,20)/b13-8+
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
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