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BDBM50097280 CHEMBL284694::V{{2-[Carboxymethyl-(2-{carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid::Zinc; {{2-[Carboxymethyl-(2-{carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid::{{2-[Carboxymethyl-(2-{carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid::{{2-[Carboxymethyl-(2-{carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid; compound with Zn complex

SMILES: NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1

InChI Key: InChIKey=KPZSOSRRNOIKIF-UHFFFAOYSA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50097280   
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 12


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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4.40n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 18: 836-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.025
BindingDB Entry DOI: 10.7270/Q2JH3N16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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8.40n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 18: 836-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.025
BindingDB Entry DOI: 10.7270/Q2JH3N16
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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46n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 18: 836-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.025
BindingDB Entry DOI: 10.7270/Q2JH3N16
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase II


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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156n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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156n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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386n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 18: 836-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.025
BindingDB Entry DOI: 10.7270/Q2JH3N16
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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3.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase I


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50097280
PNG
(CHEMBL284694 | V{{2-[Carboxymethyl-(2-{carboxymeth...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-18(2-6-20)29-22(34)13-32(16-25(38)39)11-9-31(15-24(36)37)10-12-33(17-26(40)41)14-23(35)30-19-3-7-21(8-4-19)47(28,44)45/h1-8H,9-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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3.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase I


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair