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13 molecules are shown

Wt: 285.2
BDBM13073
Wt: 242.2
BDBM16646
Purchase
Wt: 256.3
BDBM16648
Purchase
Wt: 298.4
BDBM50108582
Wt: 339.4
BDBM50157954
Wt: 327.3
BDBM50157956
Wt: 270.3
BDBM50345208
Purchase
Wt: 270.3
BDBM50345221
Purchase
Wt: 284.3
BDBM50345222
Wt: 298.4
BDBM50345214
Wt: 270.3
BDBM50345215
Purchase
Wt: 298.4
BDBM50345216
Purchase
Wt: 256.3
BDBM50345218
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 13073,16646,16648,50108582,50157954,50157956,50345208,50345221,50345222,50345214,50345215,50345216,50345218   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 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 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


(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


(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))
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 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))
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 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))
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 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 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))
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 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 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 9


(Homo sapiens (human))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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79n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM16646
PNG
(4-n-Butanamido-benzenesulfonamide | CHEMBL23591 | ...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O3S/c1-2-3-10(13)12-8-4-6-9(7-5-8)16(11,14)15/h4-7H,2-3H2,1H3,(H,12,13)(H2,11,14,15)
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83n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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85n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM16646
PNG
(4-n-Butanamido-benzenesulfonamide | CHEMBL23591 | ...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O3S/c1-2-3-10(13)12-8-4-6-9(7-5-8)16(11,14)15/h4-7H,2-3H2,1H3,(H,12,13)(H2,11,14,15)
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85n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50157954
PNG
(4-(4-Methyl-piperidin-1-yl)-N-(4-sulfamoyl-phenyl)...)
Show SMILES CC1CCN(CCCC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C16H25N3O3S/c1-13-8-11-19(12-9-13)10-2-3-16(20)18-14-4-6-15(7-5-14)23(17,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)(H2,17,21,22)
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90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against catalytic domain of human Carbonic anhydrase IX expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50157956
PNG
(4-Morpholin-4-yl-N-(4-sulfamoyl-phenyl)-butyramide...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCN2CCOCC2)cc1
Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-5-3-12(4-6-13)16-14(18)2-1-7-17-8-10-21-11-9-17/h3-6H,1-2,7-11H2,(H,16,18)(H2,15,19,20)
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104n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 12


(Homo sapiens (human))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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147n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16646
PNG
(4-n-Butanamido-benzenesulfonamide | CHEMBL23591 | ...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O3S/c1-2-3-10(13)12-8-4-6-9(7-5-8)16(11,14)15/h4-7H,2-3H2,1H3,(H,12,13)(H2,11,14,15)
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206n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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


J Med Chem 47: 1272-9 (2004)


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


(Homo sapiens (human))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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214n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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214n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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


J Med Chem 47: 1272-9 (2004)


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


(Homo sapiens (human))
BDBM16646
PNG
(4-n-Butanamido-benzenesulfonamide | CHEMBL23591 | ...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O3S/c1-2-3-10(13)12-8-4-6-9(7-5-8)16(11,14)15/h4-7H,2-3H2,1H3,(H,12,13)(H2,11,14,15)
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227n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16646
PNG
(4-n-Butanamido-benzenesulfonamide | CHEMBL23591 | ...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O3S/c1-2-3-10(13)12-8-4-6-9(7-5-8)16(11,14)15/h4-7H,2-3H2,1H3,(H,12,13)(H2,11,14,15)
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227n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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


J Med Chem 47: 1272-9 (2004)


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


(Homo sapiens (human))
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 9


(Homo sapiens (human))
BDBM50157956
PNG
(4-Morpholin-4-yl-N-(4-sulfamoyl-phenyl)-butyramide...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCN2CCOCC2)cc1
Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-5-3-12(4-6-13)16-14(18)2-1-7-17-8-10-21-11-9-17/h3-6H,1-2,7-11H2,(H,16,18)(H2,15,19,20)
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246n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against catalytic domain of human Carbonic anhydrase IX expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50157954
PNG
(4-(4-Methyl-piperidin-1-yl)-N-(4-sulfamoyl-phenyl)...)
Show SMILES CC1CCN(CCCC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C16H25N3O3S/c1-13-8-11-19(12-9-13)10-2-3-16(20)18-14-4-6-15(7-5-14)23(17,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)(H2,17,21,22)
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265n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 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))
BDBM50157956
PNG
(4-Morpholin-4-yl-N-(4-sulfamoyl-phenyl)-butyramide...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCN2CCOCC2)cc1
Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-5-3-12(4-6-13)16-14(18)2-1-7-17-8-10-21-11-9-17/h3-6H,1-2,7-11H2,(H,16,18)(H2,15,19,20)
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371n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase I expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
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 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


(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


(Homo sapiens (human))
BDBM50157954
PNG
(4-(4-Methyl-piperidin-1-yl)-N-(4-sulfamoyl-phenyl)...)
Show SMILES CC1CCN(CCCC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C16H25N3O3S/c1-13-8-11-19(12-9-13)10-2-3-16(20)18-14-4-6-15(7-5-14)23(17,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)(H2,17,21,22)
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820n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase I expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
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


(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))
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 IV


(Bos taurus (bovine))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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2.37E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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


J Med Chem 47: 1272-9 (2004)


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


(Bos taurus (bovine))
BDBM16646
PNG
(4-n-Butanamido-benzenesulfonamide | CHEMBL23591 | ...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O3S/c1-2-3-10(13)12-8-4-6-9(7-5-8)16(11,14)15/h4-7H,2-3H2,1H3,(H,12,13)(H2,11,14,15)
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2.54E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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


J Med Chem 47: 1272-9 (2004)


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


(Homo sapiens (human))
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 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))
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))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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1.77E+4 -6.48n/an/an/an/an/a7.425



Universita degli Studi di Firenze



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


J Med Chem 47: 1272-9 (2004)


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


(Homo sapiens (human))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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1.77E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
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