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PubMed code 21506569

Compile data set for download or QSAR
Found 96 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 7


(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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0.900n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345216
PNG
(2-ethyl-N-(4-sulfamoylphenyl)hexanamide | CHEMBL10...)
Show SMILES CCCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-5-6-11(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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5n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345216
PNG
(2-ethyl-N-(4-sulfamoylphenyl)hexanamide | CHEMBL10...)
Show SMILES CCCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-5-6-11(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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5.5n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345225
PNG
(2,2-Dimethyl-N-(4-sulfamoylbenzyl)propionamide | C...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)11(15)14-8-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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5.80n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345224
PNG
(2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide | CH...)
Show SMILES CCCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)
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6.5n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345222
PNG
(2-ethyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL1...)
Show SMILES CCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-5-10(4-2)13(16)15-11-6-8-12(9-7-11)19(14,17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H2,14,17,18)
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6.5n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345223
PNG
(2-ethyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(C)C(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-10(3)13(5-2)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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6.90n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345220
PNG
(2-Isopropyl-3,3-dimethyl-N-(4-sulfamoylphenyl)buty...)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-10(2)13(15(3,4)5)14(18)17-11-6-8-12(9-7-11)21(16,19)20/h6-10,13H,1-5H3,(H,17,18)(H2,16,19,20)
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7.30n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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7.60n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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9n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345215
PNG
(3-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCC(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(2)8-12(15)14-10-4-6-11(7-5-10)18(13,16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H2,13,16,17)
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9.40n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345219
PNG
(2-Ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C14H22N2O3S/c1-5-12(14(2,3)4)13(17)16-10-6-8-11(9-7-10)20(15,18)19/h6-9,12H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
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9.60n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345216
PNG
(2-ethyl-N-(4-sulfamoylphenyl)hexanamide | CHEMBL10...)
Show SMILES CCCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-5-6-11(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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9.70n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
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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10n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345224
PNG
(2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide | CH...)
Show SMILES CCCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)
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10.1n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345216
PNG
(2-ethyl-N-(4-sulfamoylphenyl)hexanamide | CHEMBL10...)
Show SMILES CCCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-5-6-11(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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10.2n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345215
PNG
(3-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCC(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(2)8-12(15)14-10-4-6-11(7-5-10)18(13,16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H2,13,16,17)
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10.3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
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



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345225
PNG
(2,2-Dimethyl-N-(4-sulfamoylbenzyl)propionamide | C...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)11(15)14-8-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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28.6n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345226
PNG
(2-Ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butyramide |...)
Show SMILES CCC(CC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(8-6-11)20(15,18)19/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
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33.8n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


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



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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41n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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46n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345219
PNG
(2-Ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C14H22N2O3S/c1-5-12(14(2,3)4)13(17)16-10-6-8-11(9-7-10)20(15,18)19/h6-9,12H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
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49n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345226
PNG
(2-Ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butyramide |...)
Show SMILES CCC(CC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(8-6-11)20(15,18)19/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
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51n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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52n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345212
PNG
(2-isopropyl-3-methyl-N-(4-sulfamoylphenyl)pentanam...)
Show SMILES CCC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-5-11(4)14(10(2)3)15(18)17-12-6-8-13(9-7-12)21(16,19)20/h6-11,14H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
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53n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345215
PNG
(3-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCC(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(2)8-12(15)14-10-4-6-11(7-5-10)18(13,16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H2,13,16,17)
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54n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345223
PNG
(2-ethyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(C)C(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-10(3)13(5-2)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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54n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


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



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345222
PNG
(2-ethyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL1...)
Show SMILES CCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-5-10(4-2)13(16)15-11-6-8-12(9-7-11)19(14,17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H2,14,17,18)
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60n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345221
PNG
(3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)8-11(15)14-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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62n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345214
PNG
(2-ethyl-4-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(CC(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-11(9-10(2)3)14(17)16-12-5-7-13(8-6-12)20(15,18)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H2,15,18,19)
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62n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345214
PNG
(2-ethyl-4-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(CC(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-11(9-10(2)3)14(17)16-12-5-7-13(8-6-12)20(15,18)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H2,15,18,19)
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64n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345225
PNG
(2,2-Dimethyl-N-(4-sulfamoylbenzyl)propionamide | C...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)11(15)14-8-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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65n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345218
PNG
(2-Methyl-N-(4-sulfamoylphenyl)butyramide | 2-methy...)
Show SMILES CCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-3-8(2)11(14)13-9-4-6-10(7-5-9)17(12,15)16/h4-8H,3H2,1-2H3,(H,13,14)(H2,12,15,16)
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65n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345212
PNG
(2-isopropyl-3-methyl-N-(4-sulfamoylphenyl)pentanam...)
Show SMILES CCC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-5-11(4)14(10(2)3)15(18)17-12-6-8-13(9-7-12)21(16,19)20/h6-11,14H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
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66n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345224
PNG
(2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide | CH...)
Show SMILES CCCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)
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70n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345221
PNG
(3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)8-11(15)14-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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71n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345217
PNG
(2-Ethyl-N-(4-sulfamoyl-benzyl)-butyramide | 2-Ethy...)
Show SMILES CCC(CC)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)19(14,17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
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71n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345218
PNG
(2-Methyl-N-(4-sulfamoylphenyl)butyramide | 2-methy...)
Show SMILES CCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-3-8(2)11(14)13-9-4-6-10(7-5-9)17(12,15)16/h4-8H,3H2,1-2H3,(H,13,14)(H2,12,15,16)
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78n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345215
PNG
(3-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCC(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(2)8-12(15)14-10-4-6-11(7-5-10)18(13,16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H2,13,16,17)
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78n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345217
PNG
(2-Ethyl-N-(4-sulfamoyl-benzyl)-butyramide | 2-Ethy...)
Show SMILES CCC(CC)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)19(14,17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
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82n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345217
PNG
(2-Ethyl-N-(4-sulfamoyl-benzyl)-butyramide | 2-Ethy...)
Show SMILES CCC(CC)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)19(14,17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
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82n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345212
PNG
(2-isopropyl-3-methyl-N-(4-sulfamoylphenyl)pentanam...)
Show SMILES CCC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-5-11(4)14(10(2)3)15(18)17-12-6-8-13(9-7-12)21(16,19)20/h6-11,14H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
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101n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345214
PNG
(2-ethyl-4-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(CC(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-11(9-10(2)3)14(17)16-12-5-7-13(8-6-12)20(15,18)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H2,15,18,19)
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104n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345212
PNG
(2-isopropyl-3-methyl-N-(4-sulfamoylphenyl)pentanam...)
Show SMILES CCC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-5-11(4)14(10(2)3)15(18)17-12-6-8-13(9-7-12)21(16,19)20/h6-11,14H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
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106n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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117n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345223
PNG
(2-ethyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(C)C(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-10(3)13(5-2)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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142n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345217
PNG
(2-Ethyl-N-(4-sulfamoyl-benzyl)-butyramide | 2-Ethy...)
Show SMILES CCC(CC)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)19(14,17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
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143n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345211
PNG
(2-isopropyl-N-(4-sulfamoylphenyl)pentanamide | CHE...)
Show SMILES CCCC(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-5-13(10(2)3)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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190n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345210
PNG
(2-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9(2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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220n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345213
PNG
(2-Propyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide...)
Show SMILES CCCC(C(C)CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-4-6-14(11(3)5-2)15(18)17-12-7-9-13(10-8-12)21(16,19)20/h7-11,14H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
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233n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345209
PNG
(2-Isopropyl-3-methyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-9(2)13(10(3)4)14(17)16-11-5-7-12(8-6-11)20(15,18)19/h5-10,13H,1-4H3,(H,16,17)(H2,15,18,19)
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237n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
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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250n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345220
PNG
(2-Isopropyl-3,3-dimethyl-N-(4-sulfamoylphenyl)buty...)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-10(2)13(15(3,4)5)14(18)17-11-6-8-12(9-7-11)21(16,19)20/h6-10,13H,1-5H3,(H,17,18)(H2,16,19,20)
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258n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345222
PNG
(2-ethyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL1...)
Show SMILES CCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-5-10(4-2)13(16)15-11-6-8-12(9-7-11)19(14,17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H2,14,17,18)
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321n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345225
PNG
(2,2-Dimethyl-N-(4-sulfamoylbenzyl)propionamide | C...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)11(15)14-8-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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339n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345218
PNG
(2-Methyl-N-(4-sulfamoylphenyl)butyramide | 2-methy...)
Show SMILES CCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-3-8(2)11(14)13-9-4-6-10(7-5-9)17(12,15)16/h4-8H,3H2,1-2H3,(H,13,14)(H2,12,15,16)
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339n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345226
PNG
(2-Ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butyramide |...)
Show SMILES CCC(CC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(8-6-11)20(15,18)19/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
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407n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345220
PNG
(2-Isopropyl-3,3-dimethyl-N-(4-sulfamoylphenyl)buty...)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-10(2)13(15(3,4)5)14(18)17-11-6-8-12(9-7-11)21(16,19)20/h6-10,13H,1-5H3,(H,17,18)(H2,16,19,20)
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556n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345211
PNG
(2-isopropyl-N-(4-sulfamoylphenyl)pentanamide | CHE...)
Show SMILES CCCC(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-5-13(10(2)3)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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581n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345210
PNG
(2-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9(2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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605n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345213
PNG
(2-Propyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide...)
Show SMILES CCCC(C(C)CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-4-6-14(11(3)5-2)15(18)17-12-7-9-13(10-8-12)21(16,19)20/h7-11,14H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
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610n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345208
PNG
(2-Ethyl-N-(4-sulfamoylphenyl)butyramide | 2-ethyl-...)
Show SMILES CCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(4-2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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643n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345210
PNG
(2-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9(2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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644n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345209
PNG
(2-Isopropyl-3-methyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-9(2)13(10(3)4)14(17)16-11-5-7-12(8-6-11)20(15,18)19/h5-10,13H,1-4H3,(H,16,17)(H2,15,18,19)
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660n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345211
PNG
(2-isopropyl-N-(4-sulfamoylphenyl)pentanamide | CHE...)
Show SMILES CCCC(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-5-13(10(2)3)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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682n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345226
PNG
(2-Ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butyramide |...)
Show SMILES CCC(CC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(8-6-11)20(15,18)19/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
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684n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM16649
PNG
(2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide | 4-...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
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730n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345214
PNG
(2-ethyl-4-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(CC(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-11(9-10(2)3)14(17)16-12-5-7-13(8-6-12)20(15,18)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H2,15,18,19)
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737n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50345219
PNG
(2-Ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C14H22N2O3S/c1-5-12(14(2,3)4)13(17)16-10-6-8-11(9-7-10)20(15,18)19/h6-9,12H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
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771n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345208
PNG
(2-Ethyl-N-(4-sulfamoylphenyl)butyramide | 2-ethyl-...)
Show SMILES CCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(4-2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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861n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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1.46E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345222
PNG
(2-ethyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL1...)
Show SMILES CCCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O3S/c1-3-5-10(4-2)13(16)15-11-6-8-12(9-7-11)19(14,17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H2,14,17,18)
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1.56E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345210
PNG
(2-methyl-N-(4-sulfamoylphenyl)pentanamide | CHEMBL...)
Show SMILES CCCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9(2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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1.71E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345211
PNG
(2-isopropyl-N-(4-sulfamoylphenyl)pentanamide | CHE...)
Show SMILES CCCC(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-5-13(10(2)3)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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1.85E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345221
PNG
(3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)8-11(15)14-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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2.10E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345218
PNG
(2-Methyl-N-(4-sulfamoylphenyl)butyramide | 2-methy...)
Show SMILES CCC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-3-8(2)11(14)13-9-4-6-10(7-5-9)17(12,15)16/h4-8H,3H2,1-2H3,(H,13,14)(H2,12,15,16)
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2.28E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345209
PNG
(2-Isopropyl-3-methyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-9(2)13(10(3)4)14(17)16-11-5-7-12(8-6-11)20(15,18)19/h5-10,13H,1-4H3,(H,16,17)(H2,15,18,19)
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2.44E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345223
PNG
(2-ethyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide ...)
Show SMILES CCC(C)C(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-4-10(3)13(5-2)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
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2.50E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16649
PNG
(2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide | 4-...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
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2.50E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345208
PNG
(2-Ethyl-N-(4-sulfamoylphenyl)butyramide | 2-ethyl-...)
Show SMILES CCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(4-2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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2.81E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345220
PNG
(2-Isopropyl-3,3-dimethyl-N-(4-sulfamoylphenyl)buty...)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-10(2)13(15(3,4)5)14(18)17-11-6-8-12(9-7-11)21(16,19)20/h6-10,13H,1-5H3,(H,17,18)(H2,16,19,20)
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3.05E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50345221
PNG
(3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-12(2,3)8-11(15)14-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
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3.50E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345219
PNG
(2-Ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C14H22N2O3S/c1-5-12(14(2,3)4)13(17)16-10-6-8-11(9-7-10)20(15,18)19/h6-9,12H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
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3.59E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345224
PNG
(2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide | CH...)
Show SMILES CCCC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)
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3.83E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345208
PNG
(2-Ethyl-N-(4-sulfamoylphenyl)butyramide | 2-ethyl-...)
Show SMILES CCC(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N2O3S/c1-3-9(4-2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
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4.16E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50345213
PNG
(2-Propyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide...)
Show SMILES CCCC(C(C)CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-4-6-14(11(3)5-2)15(18)17-12-7-9-13(10-8-12)21(16,19)20/h7-11,14H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
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4.26E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345213
PNG
(2-Propyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide...)
Show SMILES CCCC(C(C)CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-4-6-14(11(3)5-2)15(18)17-12-7-9-13(10-8-12)21(16,19)20/h7-11,14H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
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5.15E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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5.25E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM16649
PNG
(2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide | 4-...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
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5.90E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM16649
PNG
(2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide | 4-...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
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7.20E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50345209
PNG
(2-Isopropyl-3-methyl-N-(4-sulfamoylphenyl)butyrami...)
Show SMILES CC(C)C(C(C)C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H22N2O3S/c1-9(2)13(10(3)4)14(17)16-11-5-7-12(8-6-11)20(15,18)19/h5-10,13H,1-4H3,(H,16,17)(H2,15,18,19)
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8.37E+3n/an/an/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay


J Med Chem 54: 3977-81 (2011)


Article DOI: 10.1021/jm200209n
BindingDB Entry DOI: 10.7270/Q2736R8S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%