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4 similar compounds to monomer 50387153

Compile data set for download or QSAR
Wt: 350.3
BDBM50387129
Wt: 357.3
BDBM50387133
Wt: 307.3
BDBM50387114
Wt: 337.3
BDBM50387117

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50387129,50387133,50387114,50387117   
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 1


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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0.694n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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0.993n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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1.10n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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1.30n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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2n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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2n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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2n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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2n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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2.10n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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2.20n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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3.40n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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3.40n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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3.40n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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3.5n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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3.60n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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3.70n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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4.20n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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4.30n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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9n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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9n/an/an/an/an/an/an/an/a



Birla Institute of Technology





J Enzyme Inhib Med Chem 29: 571-81 (2014)


Article DOI: 10.3109/14756366.2013.827677
BindingDB Entry DOI: 10.7270/Q2NC5ZCQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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9n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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10n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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15n/an/an/an/an/an/an/an/a



Birla Institute of Technology





J Enzyme Inhib Med Chem 29: 571-81 (2014)


Article DOI: 10.3109/14756366.2013.827677
BindingDB Entry DOI: 10.7270/Q2NC5ZCQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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15n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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15n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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16n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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17n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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18n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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141n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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298n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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348n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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348n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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393n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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413n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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413n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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1.43E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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2.35E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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2.35E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387114
PNG
(CHEMBL2047796)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
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3.24E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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4.37E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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4.37E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387133
PNG
(CHEMBL2047813)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
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8.70E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair