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SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1

InChI Key: InChIKey=MCDXWABKFCECMP-UHFFFAOYSA-N

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 5 hits for monomerid = 50344552   
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))
BDBM50344552
PNG
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22)
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147n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344552
PNG
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22)
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198n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50344552
PNG
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22)
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242n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50344552
PNG
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22)
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253n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50344552
PNG
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22)
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345n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human CA4 by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair