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PubMed code 11784136

Compile data set for download or QSAR
Found 100 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50108575
PNG
(3-(4-Iodo-benzenesulfonylamino)-N-(5-sulfamoyl-[1,...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2ccc(I)cc2)s1
Show InChI InChI=1S/C11H12IN5O5S3/c12-7-1-3-8(4-2-7)25(21,22)14-6-5-9(18)15-10-16-17-11(23-10)24(13,19)20/h1-4,14H,5-6H2,(H2,13,19,20)(H,15,16,18)
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1.20n/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))
BDBM50108585
PNG
(3-[4-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CC(C=C4)C3C(O)=O)cc2)s1
Show InChI InChI=1S/C17H17N5O7S3/c18-31(26,27)17-21-20-16(30-17)22-32(28,29)11-5-3-10(4-6-11)19-14(23)12-8-1-2-9(7-8)13(12)15(24)25/h1-6,8-9,12-13H,7H2,(H,19,23)(H,20,22)(H,24,25)(H2,18,26,27)/t8?,9?,12-,13?/m1/s1
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1.5n/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))
BDBM16669
PNG
(CHEMBL281376 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)
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2n/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


(Homo sapiens (human))
BDBM50108577
PNG
(5-(3-(4-methyl-sulfonylbenzene)-ureido)-[1,3,4]thi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H11N5O5S3/c1-6-2-4-7(5-3-6)23(19,20)15-8(16)12-9-13-14-10(21-9)22(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,13,15,16)
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3n/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))
BDBM11427
PNG
(2-N-(4-methylbenzene)-1,3,4-thiadiazole-2,5-disulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N4O4S3/c1-6-2-4-7(5-3-6)20(16,17)13-8-11-12-9(18-8)19(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
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3n/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 IV


(Bos taurus (bovine))
BDBM50108585
PNG
(3-[4-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CC(C=C4)C3C(O)=O)cc2)s1
Show InChI InChI=1S/C17H17N5O7S3/c18-31(26,27)17-21-20-16(30-17)22-32(28,29)11-5-3-10(4-6-11)19-14(23)12-8-1-2-9(7-8)13(12)15(24)25/h1-6,8-9,12-13H,7H2,(H,19,23)(H,20,22)(H,24,25)(H2,18,26,27)/t8?,9?,12-,13?/m1/s1
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4n/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))
BDBM11427
PNG
(2-N-(4-methylbenzene)-1,3,4-thiadiazole-2,5-disulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N4O4S3/c1-6-2-4-7(5-3-6)20(16,17)13-8-11-12-9(18-8)19(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
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4n/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
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50108577
PNG
(5-(3-(4-methyl-sulfonylbenzene)-ureido)-[1,3,4]thi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H11N5O5S3/c1-6-2-4-7(5-3-6)23(19,20)15-8(16)12-9-13-14-10(21-9)22(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,13,15,16)
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4n/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


(Homo sapiens (human))
BDBM11427
PNG
(2-N-(4-methylbenzene)-1,3,4-thiadiazole-2,5-disulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N4O4S3/c1-6-2-4-7(5-3-6)20(16,17)13-8-11-12-9(18-8)19(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
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5n/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 2


(Homo sapiens (human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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5n/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))
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



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
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50108585
PNG
(3-[4-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CC(C=C4)C3C(O)=O)cc2)s1
Show InChI InChI=1S/C17H17N5O7S3/c18-31(26,27)17-21-20-16(30-17)22-32(28,29)11-5-3-10(4-6-11)19-14(23)12-8-1-2-9(7-8)13(12)15(24)25/h1-6,8-9,12-13H,7H2,(H,19,23)(H,20,22)(H,24,25)(H2,18,26,27)/t8?,9?,12-,13?/m1/s1
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5.5n/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 2


(Homo sapiens (human))
BDBM50108579
PNG
(2-Propyl-pentanoic acid (5-sulfamoyl-[1,3,4]thiadi...)
Show SMILES CCCC(CCC)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H18N4O3S2/c1-3-5-7(6-4-2)8(15)12-9-13-14-10(18-9)19(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H,12,13,15)
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6n/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
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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6n/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))
BDBM50108565
PNG
(2-Propyl-pentanoic acid 2-sulfamoyl-benzothiazol-6...)
Show SMILES CCCC(CCC)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S2/c1-3-5-10(6-4-2)14(18)21-11-7-8-12-13(9-11)22-15(17-12)23(16,19)20/h7-10H,3-6H2,1-2H3,(H2,16,19,20)
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7n/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
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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7n/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 2


(Homo sapiens (human))
BDBM50108571
PNG
(2-Propyl-pentanoic acid 2-(2-sulfamoyl-benzothiazo...)
Show SMILES CCCC(CCC)C(=O)OCCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C17H24N2O5S2/c1-3-5-12(6-4-2)16(20)24-10-9-23-13-7-8-14-15(11-13)25-17(19-14)26(18,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,18,21,22)
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7n/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
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50108578
PNG
(2-Propyl-pentanoic acid (2-sulfamoyl-benzothiazol-...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C15H21N3O3S2/c1-3-5-10(6-4-2)14(19)17-11-7-8-12-13(9-11)22-15(18-12)23(16,20)21/h7-10H,3-6H2,1-2H3,(H,17,19)(H2,16,20,21)
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7n/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))
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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9n/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))
BDBM50108572
PNG
((5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-carbamic acid...)
Show SMILES CC(C)(C)OC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O4S2/c1-7(2,3)15-5(12)9-4-10-11-6(16-4)17(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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9n/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
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50108583
PNG
(2-Propyl-pentanoic acid [2-(5-sulfamoyl-[1,3,4]thi...)
Show SMILES CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H23N5O4S2/c1-3-5-9(6-4-2)11(20)15-8-7-10(19)16-12-17-18-13(23-12)24(14,21)22/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,21,22)(H,16,17,19)
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9n/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))
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)
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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))
BDBM50108589
PNG
(3,4,5-Trimethoxy-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H14N4O6S2/c1-20-7-4-6(5-8(21-2)9(7)22-3)10(17)14-11-15-16-12(23-11)24(13,18)19/h4-5H,1-3H3,(H2,13,18,19)(H,14,15,17)
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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))
BDBM50108563
PNG
(Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]t...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13?
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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
3D
3D Structure (docked)
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



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
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108577
PNG
(5-(3-(4-methyl-sulfonylbenzene)-ureido)-[1,3,4]thi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H11N5O5S3/c1-6-2-4-7(5-3-6)23(19,20)15-8(16)12-9-13-14-10(21-9)22(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,13,15,16)
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12n/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 IV


(Bos taurus (bovine))
BDBM50108571
PNG
(2-Propyl-pentanoic acid 2-(2-sulfamoyl-benzothiazo...)
Show SMILES CCCC(CCC)C(=O)OCCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C17H24N2O5S2/c1-3-5-12(6-4-2)16(20)24-10-9-23-13-7-8-14-15(11-13)25-17(19-14)26(18,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,18,21,22)
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13n/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))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(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)
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14n/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
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108565
PNG
(2-Propyl-pentanoic acid 2-sulfamoyl-benzothiazol-6...)
Show SMILES CCCC(CCC)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S2/c1-3-5-10(6-4-2)14(18)21-11-7-8-12-13(9-11)22-15(17-12)23(16,19)20/h7-10H,3-6H2,1-2H3,(H2,16,19,20)
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15n/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 IV


(Bos taurus (bovine))
BDBM50108578
PNG
(2-Propyl-pentanoic acid (2-sulfamoyl-benzothiazol-...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C15H21N3O3S2/c1-3-5-10(6-4-2)14(19)17-11-7-8-12-13(9-11)22-15(18-12)23(16,20)21/h7-10H,3-6H2,1-2H3,(H,17,19)(H2,16,20,21)
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16n/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 IV


(Bos taurus (bovine))
BDBM16669
PNG
(CHEMBL281376 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)
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21n/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 IV


(Bos taurus (bovine))
BDBM50108579
PNG
(2-Propyl-pentanoic acid (5-sulfamoyl-[1,3,4]thiadi...)
Show SMILES CCCC(CCC)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H18N4O3S2/c1-3-5-7(6-4-2)8(15)12-9-13-14-10(18-9)19(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H,12,13,15)
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25n/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))
BDBM50108564
PNG
(2-Propyl-pentanoic acid (2,3-dichloro-4,6-disulfam...)
Show SMILES CCCC(CCC)C(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21Cl2N3O5S2/c1-3-5-8(6-4-2)14(20)19-13-10(26(18,23)24)7-9(25(17,21)22)11(15)12(13)16/h7-8H,3-6H2,1-2H3,(H,19,20)(H2,17,21,22)(H2,18,23,24)
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26n/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))
BDBM50108588
PNG
(2-Propyl-pentanoic acid (2-bromo-4-sulfamoyl-pheny...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C14H21BrN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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36n/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


(Homo sapiens (human))
BDBM16669
PNG
(CHEMBL281376 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)
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38n/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))
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)
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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))
BDBM50108580
PNG
(2-Propyl-pentanoic acid (2-iodo-4-sulfamoyl-phenyl...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C14H21IN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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43n/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))
BDBM50108569
PNG
(2-Propyl-pentanoic acid (2-fluoro-4-sulfamoyl-phen...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C14H21FN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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45n/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
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
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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46n/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 IV


(Bos taurus (bovine))
BDBM50108588
PNG
(2-Propyl-pentanoic acid (2-bromo-4-sulfamoyl-pheny...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C14H21BrN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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49n/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


(Homo sapiens (human))
BDBM50108579
PNG
(2-Propyl-pentanoic acid (5-sulfamoyl-[1,3,4]thiadi...)
Show SMILES CCCC(CCC)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H18N4O3S2/c1-3-5-7(6-4-2)8(15)12-9-13-14-10(18-9)19(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H,12,13,15)
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50n/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 2


(Homo sapiens (human))
BDBM50108573
PNG
(2-Propyl-pentanoic acid (2-chloro-4-sulfamoyl-phen...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C14H21ClN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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50n/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


(Homo sapiens (human))
BDBM50108571
PNG
(2-Propyl-pentanoic acid 2-(2-sulfamoyl-benzothiazo...)
Show SMILES CCCC(CCC)C(=O)OCCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C17H24N2O5S2/c1-3-5-12(6-4-2)16(20)24-10-9-23-13-7-8-14-15(11-13)25-17(19-14)26(18,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,18,21,22)
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50n/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


(Homo sapiens (human))
BDBM50108565
PNG
(2-Propyl-pentanoic acid 2-sulfamoyl-benzothiazol-6...)
Show SMILES CCCC(CCC)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S2/c1-3-5-10(6-4-2)14(18)21-11-7-8-12-13(9-11)22-15(17-12)23(16,19)20/h7-10H,3-6H2,1-2H3,(H2,16,19,20)
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50n/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))
BDBM50108589
PNG
(3,4,5-Trimethoxy-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H14N4O6S2/c1-20-7-4-6(5-8(21-2)9(7)22-3)10(17)14-11-15-16-12(23-11)24(13,18)19/h4-5H,1-3H3,(H2,13,18,19)(H,14,15,17)
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51n/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 IV


(Bos taurus (bovine))
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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54n/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


(Homo sapiens (human))
BDBM50108578
PNG
(2-Propyl-pentanoic acid (2-sulfamoyl-benzothiazol-...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C15H21N3O3S2/c1-3-5-10(6-4-2)14(19)17-11-7-8-12-13(9-11)22-15(18-12)23(16,20)21/h7-10H,3-6H2,1-2H3,(H,17,19)(H2,16,20,21)
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62n/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))
BDBM50108563
PNG
(Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]t...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13?
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65n/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


(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)
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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 2


(Homo sapiens (human))
BDBM50108584
PNG
(2-Propyl-pentanoic acid (5-chloro-2,4-disulfamoyl-...)
Show SMILES CCCC(CCC)C(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H22ClN3O5S2/c1-3-5-9(6-4-2)14(19)18-11-7-10(15)12(24(16,20)21)8-13(11)25(17,22)23/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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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 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
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108583
PNG
(2-Propyl-pentanoic acid [2-(5-sulfamoyl-[1,3,4]thi...)
Show SMILES CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H23N5O4S2/c1-3-5-9(6-4-2)11(20)15-8-7-10(19)16-12-17-18-13(23-12)24(14,21)22/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,21,22)(H,16,17,19)
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76n/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))
BDBM50108576
PNG
(2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCC(CCC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H26N2O3S/c1-3-5-14(6-4-2)16(19)18-12-11-13-7-9-15(10-8-13)22(17,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)(H2,17,20,21)
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84n/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
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108580
PNG
(2-Propyl-pentanoic acid (2-iodo-4-sulfamoyl-phenyl...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C14H21IN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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85n/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))
BDBM50108562
PNG
(2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide | ...)
Show SMILES CCCC(CCC)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-3-5-13(6-4-2)15(18)17-11-12-7-9-14(10-8-12)21(16,19)20/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)(H2,16,19,20)
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96n/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 IV


(Bos taurus (bovine))
BDBM50108569
PNG
(2-Propyl-pentanoic acid (2-fluoro-4-sulfamoyl-phen...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C14H21FN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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110n/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


(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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110n/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 2


(Homo sapiens (human))
BDBM50108587
PNG
(2-Propyl-pentanoic acid 4-sulfamoyl-benzyl ester |...)
Show SMILES CCCC(CCC)C(=O)OCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H23NO4S/c1-3-5-13(6-4-2)15(17)20-11-12-7-9-14(10-8-12)21(16,18)19/h7-10,13H,3-6,11H2,1-2H3,(H2,16,18,19)
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115n/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 IV


(Bos taurus (bovine))
BDBM50108575
PNG
(3-(4-Iodo-benzenesulfonylamino)-N-(5-sulfamoyl-[1,...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2ccc(I)cc2)s1
Show InChI InChI=1S/C11H12IN5O5S3/c12-7-1-3-8(4-2-7)25(21,22)14-6-5-9(18)15-10-16-17-11(23-10)24(13,19)20/h1-4,14H,5-6H2,(H2,13,19,20)(H,15,16,18)
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120n/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 IV


(Bos taurus (bovine))
BDBM50108573
PNG
(2-Propyl-pentanoic acid (2-chloro-4-sulfamoyl-phen...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C14H21ClN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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125n/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 IV


(Bos taurus (bovine))
BDBM50108572
PNG
((5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-carbamic acid...)
Show SMILES CC(C)(C)OC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O4S2/c1-7(2,3)15-5(12)9-4-10-11-6(16-4)17(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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130n/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 IV


(Bos taurus (bovine))
BDBM50108584
PNG
(2-Propyl-pentanoic acid (5-chloro-2,4-disulfamoyl-...)
Show SMILES CCCC(CCC)C(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H22ClN3O5S2/c1-3-5-9(6-4-2)14(19)18-11-7-10(15)12(24(16,20)21)8-13(11)25(17,22)23/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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133n/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 IV


(Bos taurus (bovine))
BDBM50108564
PNG
(2-Propyl-pentanoic acid (2,3-dichloro-4,6-disulfam...)
Show SMILES CCCC(CCC)C(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21Cl2N3O5S2/c1-3-5-8(6-4-2)14(20)19-13-10(26(18,23)24)7-9(25(17,21)22)11(15)12(13)16/h7-8H,3-6H2,1-2H3,(H,19,20)(H2,17,21,22)(H2,18,23,24)
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155n/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 IV


(Bos taurus (bovine))
BDBM50108576
PNG
(2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCC(CCC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H26N2O3S/c1-3-5-14(6-4-2)16(19)18-12-11-13-7-9-15(10-8-13)22(17,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)(H2,17,20,21)
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200n/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 IV


(Bos taurus (bovine))
BDBM50108562
PNG
(2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide | ...)
Show SMILES CCCC(CCC)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-3-5-13(6-4-2)15(18)17-11-12-7-9-14(10-8-12)21(16,19)20/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)(H2,16,19,20)
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210n/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 IV


(Bos taurus (bovine))
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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220n/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))
BDBM50108568
PNG
(2-Propyl-pentanoic acid (3-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-6-11(7-4-2)14(17)16-12-8-5-9-13(10-12)20(15,18)19/h5,8-11H,3-4,6-7H2,1-2H3,(H,16,17)(H2,15,18,19)
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221n/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 IV


(Bos taurus (bovine))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(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)
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240n/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))
BDBM50108582
PNG
(2-Propyl-pentanoic acid (4-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-5-11(6-4-2)14(17)16-12-7-9-13(10-8-12)20(15,18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
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240n/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
3D
3D Structure (docked)
Carbonic anhydrase


(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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250n/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
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50108581
PNG
(2-Propyl-pentanoic acid (2-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-7-11(8-4-2)14(17)16-12-9-5-6-10-13(12)20(15,18)19/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)(H2,15,18,19)
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255n/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


(Homo sapiens (human))
BDBM50108575
PNG
(3-(4-Iodo-benzenesulfonylamino)-N-(5-sulfamoyl-[1,...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2ccc(I)cc2)s1
Show InChI InChI=1S/C11H12IN5O5S3/c12-7-1-3-8(4-2-7)25(21,22)14-6-5-9(18)15-10-16-17-11(23-10)24(13,19)20/h1-4,14H,5-6H2,(H2,13,19,20)(H,15,16,18)
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260n/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 2


(Homo sapiens (human))
BDBM50108570
PNG
(4-[N'-(2-Propyl-pentanoyl)-hydrazino]-benzenesulfo...)
Show SMILES CCCC(CCC)C(=O)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H23N3O3S/c1-3-5-11(6-4-2)14(18)17-16-12-7-9-13(10-8-12)21(15,19)20/h7-11,16H,3-6H2,1-2H3,(H,17,18)(H2,15,19,20)
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300n/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 IV


(Bos taurus (bovine))
BDBM50108566
PNG
(2-Propyl-pentanoic acid 2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES CCCC(CCC)C(=O)OCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H25NO4S/c1-3-5-14(6-4-2)16(18)21-12-11-13-7-9-15(10-8-13)22(17,19)20/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,19,20)
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313n/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 IV


(Bos taurus (bovine))
BDBM50108587
PNG
(2-Propyl-pentanoic acid 4-sulfamoyl-benzyl ester |...)
Show SMILES CCCC(CCC)C(=O)OCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H23NO4S/c1-3-5-13(6-4-2)15(17)20-11-12-7-9-14(10-8-12)21(16,18)19/h7-10,13H,3-6,11H2,1-2H3,(H2,16,18,19)
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333n/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


(Homo sapiens (human))
BDBM50108583
PNG
(2-Propyl-pentanoic acid [2-(5-sulfamoyl-[1,3,4]thi...)
Show SMILES CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H23N5O4S2/c1-3-5-9(6-4-2)11(20)15-8-7-10(19)16-12-17-18-13(23-12)24(14,21)22/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,21,22)(H,16,17,19)
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360n/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


(Homo sapiens (human))
BDBM50108572
PNG
((5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-carbamic acid...)
Show SMILES CC(C)(C)OC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O4S2/c1-7(2,3)15-5(12)9-4-10-11-6(16-4)17(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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460n/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


(Homo sapiens (human))
BDBM50108580
PNG
(2-Propyl-pentanoic acid (2-iodo-4-sulfamoyl-phenyl...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C14H21IN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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550n/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


(Homo sapiens (human))
BDBM50108588
PNG
(2-Propyl-pentanoic acid (2-bromo-4-sulfamoyl-pheny...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C14H21BrN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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600n/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))
BDBM50108582
PNG
(2-Propyl-pentanoic acid (4-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-5-11(6-4-2)14(17)16-12-7-9-13(10-8-12)20(15,18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
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630n/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 IV


(Bos taurus (bovine))
BDBM50108568
PNG
(2-Propyl-pentanoic acid (3-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-6-11(7-4-2)14(17)16-12-8-5-9-13(10-12)20(15,18)19/h5,8-11H,3-4,6-7H2,1-2H3,(H,16,17)(H2,15,18,19)
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740n/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


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(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)
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780n/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
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50108584
PNG
(2-Propyl-pentanoic acid (5-chloro-2,4-disulfamoyl-...)
Show SMILES CCCC(CCC)C(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H22ClN3O5S2/c1-3-5-9(6-4-2)14(19)18-11-7-10(15)12(24(16,20)21)8-13(11)25(17,22)23/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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800n/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 2


(Homo sapiens (human))
BDBM50108566
PNG
(2-Propyl-pentanoic acid 2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES CCCC(CCC)C(=O)OCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H25NO4S/c1-3-5-14(6-4-2)16(18)21-12-11-13-7-9-15(10-8-13)22(17,19)20/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,19,20)
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844n/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
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50108563
PNG
(Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]t...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13?
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850n/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


(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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900n/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
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50108589
PNG
(3,4,5-Trimethoxy-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H14N4O6S2/c1-20-7-4-6(5-8(21-2)9(7)22-3)10(17)14-11-15-16-12(23-11)24(13,18)19/h4-5H,1-3H3,(H2,13,18,19)(H,14,15,17)
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900n/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


(Homo sapiens (human))
BDBM50108573
PNG
(2-Propyl-pentanoic acid (2-chloro-4-sulfamoyl-phen...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C14H21ClN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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950n/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))
BDBM50108570
PNG
(4-[N'-(2-Propyl-pentanoyl)-hydrazino]-benzenesulfo...)
Show SMILES CCCC(CCC)C(=O)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H23N3O3S/c1-3-5-11(6-4-2)14(18)17-16-12-7-9-13(10-8-12)21(15,19)20/h7-11,16H,3-6H2,1-2H3,(H,17,18)(H2,15,19,20)
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950n/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 IV


(Bos taurus (bovine))
BDBM50108581
PNG
(2-Propyl-pentanoic acid (2-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-7-11(8-4-2)14(17)16-12-9-5-6-10-13(12)20(15,18)19/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)(H2,15,18,19)
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950n/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


(Homo sapiens (human))
BDBM50108564
PNG
(2-Propyl-pentanoic acid (2,3-dichloro-4,6-disulfam...)
Show SMILES CCCC(CCC)C(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21Cl2N3O5S2/c1-3-5-8(6-4-2)14(20)19-13-10(26(18,23)24)7-9(25(17,21)22)11(15)12(13)16/h7-8H,3-6H2,1-2H3,(H,19,20)(H2,17,21,22)(H2,18,23,24)
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970n/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


(Homo sapiens (human))
BDBM50108569
PNG
(2-Propyl-pentanoic acid (2-fluoro-4-sulfamoyl-phen...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C14H21FN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
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1.00E+3n/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


(Homo sapiens (human))
BDBM50108566
PNG
(2-Propyl-pentanoic acid 2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES CCCC(CCC)C(=O)OCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H25NO4S/c1-3-5-14(6-4-2)16(18)21-12-11-13-7-9-15(10-8-13)22(17,19)20/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,19,20)
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1.30E+3n/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


(Homo sapiens (human))
BDBM50108587
PNG
(2-Propyl-pentanoic acid 4-sulfamoyl-benzyl ester |...)
Show SMILES CCCC(CCC)C(=O)OCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H23NO4S/c1-3-5-13(6-4-2)15(17)20-11-12-7-9-14(10-8-12)21(16,18)19/h7-10,13H,3-6,11H2,1-2H3,(H2,16,18,19)
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1.50E+3n/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


(Homo sapiens (human))
BDBM50108576
PNG
(2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCC(CCC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H26N2O3S/c1-3-5-14(6-4-2)16(19)18-12-11-13-7-9-15(10-8-13)22(17,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)(H2,17,20,21)
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3.50E+3n/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


(Homo sapiens (human))
BDBM50108562
PNG
(2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide | ...)
Show SMILES CCCC(CCC)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-3-5-13(6-4-2)15(18)17-11-12-7-9-14(10-8-12)21(16,19)20/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)(H2,16,19,20)
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3.70E+3n/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 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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4.30E+3n/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


(Homo sapiens (human))
BDBM50108568
PNG
(2-Propyl-pentanoic acid (3-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-6-11(7-4-2)14(17)16-12-8-5-9-13(10-12)20(15,18)19/h5,8-11H,3-4,6-7H2,1-2H3,(H,16,17)(H2,15,18,19)
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1.90E+4n/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


(Homo sapiens (human))
BDBM50108582
PNG
(2-Propyl-pentanoic acid (4-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-5-11(6-4-2)14(17)16-12-7-9-13(10-8-12)20(15,18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
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2.25E+4n/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


(Homo sapiens (human))
BDBM50108581
PNG
(2-Propyl-pentanoic acid (2-sulfamoyl-phenyl)-amide...)
Show SMILES CCCC(CCC)C(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-7-11(8-4-2)14(17)16-12-9-5-6-10-13(12)20(15,18)19/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)(H2,15,18,19)
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2.30E+4n/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


(Homo sapiens (human))
BDBM50108570
PNG
(4-[N'-(2-Propyl-pentanoyl)-hydrazino]-benzenesulfo...)
Show SMILES CCCC(CCC)C(=O)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H23N3O3S/c1-3-5-11(6-4-2)14(18)17-16-12-7-9-13(10-8-12)21(15,19)20/h7-11,16H,3-6H2,1-2H3,(H,17,18)(H2,15,19,20)
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3.56E+4n/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
* indicates data uncertainty>20%