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13 molecules are shown

Compile data set for download or QSAR
Wt: 305.4
BDBM11641
Wt: 362.4
BDBM50084528
Wt: 491.6
BDBM50141774
Wt: 395.5
BDBM50141775
Wt: 367.4
BDBM50141777
Wt: 423.5
BDBM50141781
Wt: 319.4
BDBM50141792
Wt: 423.5
BDBM50141798
Wt: 291.3
BDBM50141773
Wt: 333.4
BDBM50141800
Wt: 429.5
BDBM50141801
Wt: 457.6
BDBM50141806
Wt: 361.5
BDBM50141807

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 11641,50084528,50141774,50141775,50141777,50141781,50141792,50141798,50141773,50141800,50141801,50141806,50141807   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141777
PNG
(2,6-Dimethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES Cc1cc(cc(C)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H23N2O2S/c1-16-14-20(19-6-4-3-5-7-19)15-17(2)23(16)13-12-18-8-10-21(11-9-18)26(22,24)25/h3-11,14-15H,12-13H2,1-2H3,(H2,22,24,25)/q+1
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6n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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7n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141792
PNG
(2,3,4,6-Tetramethyl-1-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1C
Show InChI InChI=1S/C17H23N2O2S/c1-12-11-13(2)19(15(4)14(12)3)10-9-16-5-7-17(8-6-16)22(18,20)21/h5-8,11H,9-10H2,1-4H3,(H2,18,20,21)/q+1
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8n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141775
PNG
(2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/q+1
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8n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141777
PNG
(2,6-Dimethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES Cc1cc(cc(C)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H23N2O2S/c1-16-14-20(19-6-4-3-5-7-19)15-17(2)23(16)13-12-18-8-10-21(11-9-18)26(22,24)25/h3-11,14-15H,12-13H2,1-2H3,(H2,22,24,25)/q+1
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8n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141775
PNG
(2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/q+1
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9n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141792
PNG
(2,3,4,6-Tetramethyl-1-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1C
Show InChI InChI=1S/C17H23N2O2S/c1-12-11-13(2)19(15(4)14(12)3)10-9-16-5-7-17(8-6-16)22(18,20)21/h5-8,11H,9-10H2,1-4H3,(H2,18,20,21)/q+1
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10n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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13n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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14n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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14 -10.6n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



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


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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14n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141800
PNG
(2-Isopropyl-4,6-dimethyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(C)cc(C)[n+]1CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H25N2O2S/c1-13(2)18-12-14(3)11-15(4)20(18)10-9-16-5-7-17(8-6-16)23(19,21)22/h5-8,11-13H,9-10H2,1-4H3,(H2,19,21,22)/q+1
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15n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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15n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141807
PNG
(2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H29N2O2S/c1-14(2)19-12-16(5)13-20(15(3)4)22(19)11-10-17-6-8-18(9-7-17)25(21,23)24/h6-9,12-15H,10-11H2,1-5H3,(H2,21,23,24)/q+1
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20n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141777
PNG
(2,6-Dimethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES Cc1cc(cc(C)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H23N2O2S/c1-16-14-20(19-6-4-3-5-7-19)15-17(2)23(16)13-12-18-8-10-21(11-9-18)26(22,24)25/h3-11,14-15H,12-13H2,1-2H3,(H2,22,24,25)/q+1
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20n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141792
PNG
(2,3,4,6-Tetramethyl-1-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1C
Show InChI InChI=1S/C17H23N2O2S/c1-12-11-13(2)19(15(4)14(12)3)10-9-16-5-7-17(8-6-16)22(18,20)21/h5-8,11H,9-10H2,1-4H3,(H2,18,20,21)/q+1
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21n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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21n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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21 -10.4n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



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


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141798
PNG
(2,6-Diisopropyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H31N2O2S/c1-18(2)24-16-22(21-8-6-5-7-9-21)17-25(19(3)4)27(24)15-14-20-10-12-23(13-11-20)30(26,28)29/h5-13,16-19H,14-15H2,1-4H3,(H2,26,28,29)/q+1
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21n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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21n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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21n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141775
PNG
(2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/q+1
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21n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141800
PNG
(2-Isopropyl-4,6-dimethyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(C)cc(C)[n+]1CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H25N2O2S/c1-13(2)18-12-14(3)11-15(4)20(18)10-9-16-5-7-17(8-6-16)23(19,21)22/h5-8,11-13H,9-10H2,1-4H3,(H2,19,21,22)/q+1
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31n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141800
PNG
(2-Isopropyl-4,6-dimethyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(C)cc(C)[n+]1CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H25N2O2S/c1-13(2)18-12-14(3)11-15(4)20(18)10-9-16-5-7-17(8-6-16)23(19,21)22/h5-8,11-13H,9-10H2,1-4H3,(H2,19,21,22)/q+1
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32n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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34n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50084528
PNG
(2,4,6-Trimethyl-1-{[2-(4-sulfamoyl-phenyl)-ethylca...)
Show SMILES Cc1cc(C)[n+](CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C18H23N3O3S/c1-13-10-14(2)21(15(3)11-13)12-18(22)20-9-8-16-4-6-17(7-5-16)25(19,23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H2-,19,20,22,23,24)/p+1
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36n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


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


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141801
PNG
(2-Methyl-4,6-diphenyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES Cc1cc(cc(-c2ccccc2)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H25N2O2S/c1-20-18-24(22-8-4-2-5-9-22)19-26(23-10-6-3-7-11-23)28(20)17-16-21-12-14-25(15-13-21)31(27,29)30/h2-15,18-19H,16-17H2,1H3,(H2,27,29,30)/q+1
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37n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141773
PNG
(2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...)
Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C15H19N2O2S/c1-11-8-12(2)17(13(3)9-11)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1
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38n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141781
PNG
(4-Phenyl-2,6-dipropyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCc1cc(cc(CCC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H31N2O2S/c1-3-8-23-18-22(21-10-6-5-7-11-21)19-24(9-4-2)27(23)17-16-20-12-14-25(15-13-20)30(26,28)29/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3,(H2,26,28,29)/q+1
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42n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141807
PNG
(2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H29N2O2S/c1-14(2)19-12-16(5)13-20(15(3)4)22(19)11-10-17-6-8-18(9-7-17)25(21,23)24/h6-9,12-15H,10-11H2,1-5H3,(H2,21,23,24)/q+1
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49n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141773
PNG
(2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...)
Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C15H19N2O2S/c1-11-8-12(2)17(13(3)9-11)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1
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50n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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60n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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60n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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65n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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70n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5b after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141807
PNG
(2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H29N2O2S/c1-14(2)19-12-16(5)13-20(15(3)4)22(19)11-10-17-6-8-18(9-7-17)25(21,23)24/h6-9,12-15H,10-11H2,1-5H3,(H2,21,23,24)/q+1
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70n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141798
PNG
(2,6-Diisopropyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H31N2O2S/c1-18(2)24-16-22(21-8-6-5-7-9-21)17-25(19(3)4)27(24)15-14-20-10-12-23(13-11-20)30(26,28)29/h5-13,16-19H,14-15H2,1-4H3,(H2,26,28,29)/q+1
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70n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50084528
PNG
(2,4,6-Trimethyl-1-{[2-(4-sulfamoyl-phenyl)-ethylca...)
Show SMILES Cc1cc(C)[n+](CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C18H23N3O3S/c1-13-10-14(2)21(15(3)11-13)12-18(22)20-9-8-16-4-6-17(7-5-16)25(19,23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H2-,19,20,22,23,24)/p+1
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71n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


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


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141781
PNG
(4-Phenyl-2,6-dipropyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCc1cc(cc(CCC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H31N2O2S/c1-3-8-23-18-22(21-10-6-5-7-11-21)19-24(9-4-2)27(23)17-16-20-12-14-25(15-13-20)30(26,28)29/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3,(H2,26,28,29)/q+1
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82n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141806
PNG
(2,4-Diphenyl-6-propyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCc1cc(cc(-c2ccccc2)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C28H29N2O2S/c1-2-9-26-20-25(23-10-5-3-6-11-23)21-28(24-12-7-4-8-13-24)30(26)19-18-22-14-16-27(17-15-22)33(29,31)32/h3-8,10-17,20-21H,2,9,18-19H2,1H3,(H2,29,31,32)/q+1
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84n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM11641
PNG
(1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...)
Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
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88n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5a after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141798
PNG
(2,6-Diisopropyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H31N2O2S/c1-18(2)24-16-22(21-8-6-5-7-9-21)17-25(19(3)4)27(24)15-14-20-10-12-23(13-11-20)30(26,28)29/h5-13,16-19H,14-15H2,1-4H3,(H2,26,28,29)/q+1
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89n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141773
PNG
(2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...)
Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C15H19N2O2S/c1-11-8-12(2)17(13(3)9-11)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1
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92n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141774
PNG
(2,4,6-Triphenyl-1-[2-(4-sulfamoyl-phenyl)-ethyl]-p...)
Show SMILES NS(=O)(=O)c1ccc(CC[n+]2c(cc(cc2-c2ccccc2)-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H27N2O2S/c32-36(34,35)29-18-16-24(17-19-29)20-21-33-30(26-12-6-2-7-13-26)22-28(25-10-4-1-5-11-25)23-31(33)27-14-8-3-9-15-27/h1-19,22-23H,20-21H2,(H2,32,34,35)/q+1
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95n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141801
PNG
(2-Methyl-4,6-diphenyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES Cc1cc(cc(-c2ccccc2)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H25N2O2S/c1-20-18-24(22-8-4-2-5-9-22)19-26(23-10-6-3-7-11-23)28(20)17-16-21-12-14-25(15-13-21)31(27,29)30/h2-15,18-19H,16-17H2,1H3,(H2,27,29,30)/q+1
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103n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50141801
PNG
(2-Methyl-4,6-diphenyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES Cc1cc(cc(-c2ccccc2)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H25N2O2S/c1-20-18-24(22-8-4-2-5-9-22)19-26(23-10-6-3-7-11-23)28(20)17-16-21-12-14-25(15-13-21)31(27,29)30/h2-15,18-19H,16-17H2,1H3,(H2,27,29,30)/q+1
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144n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50141781
PNG
(4-Phenyl-2,6-dipropyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCc1cc(cc(CCC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C25H31N2O2S/c1-3-8-23-18-22(21-10-6-5-7-11-21)19-24(9-4-2)27(23)17-16-20-12-14-25(15-13-20)30(26,28)29/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3,(H2,26,28,29)/q+1
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205n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141806
PNG
(2,4-Diphenyl-6-propyl-1-[2-(4-sulfamoyl-phenyl)-et...)
Show SMILES CCCc1cc(cc(-c2ccccc2)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C28H29N2O2S/c1-2-9-26-20-25(23-10-5-3-6-11-23)21-28(24-12-7-4-8-13-24)30(26)19-18-22-14-16-27(17-15-22)33(29,31)32/h3-8,10-17,20-21H,2,9,18-19H2,1H3,(H2,29,31,32)/q+1
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270n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50141774
PNG
(2,4,6-Triphenyl-1-[2-(4-sulfamoyl-phenyl)-ethyl]-p...)
Show SMILES NS(=O)(=O)c1ccc(CC[n+]2c(cc(cc2-c2ccccc2)-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H27N2O2S/c32-36(34,35)29-18-16-24(17-19-29)20-21-33-30(26-12-6-2-7-13-26)22-28(25-10-4-1-5-11-25)23-31(33)27-14-8-3-9-15-27/h1-19,22-23H,20-21H2,(H2,32,34,35)/q+1
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419n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 869-73 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.029
BindingDB Entry DOI: 10.7270/Q24M953W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50084528
PNG
(2,4,6-Trimethyl-1-{[2-(4-sulfamoyl-phenyl)-ethylca...)
Show SMILES Cc1cc(C)[n+](CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C18H23N3O3S/c1-13-10-14(2)21(15(3)11-13)12-18(22)20-9-8-16-4-6-17(7-5-16)25(19,23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H2-,19,20,22,23,24)/p+1
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805n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (CA1)


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
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