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BDBM50344560 4-(4-sulfamoylphenoxy)butyl nitrate::CHEMBL1778438

SMILES: NS(=O)(=O)c1ccc(OCCCCO[N+]([O-])=O)cc1

InChI Key: InChIKey=ODJCADAZZYXNED-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50344560   
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 2


(Homo sapiens (Human))
BDBM50344560
PNG
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)
Show SMILES NS(=O)(=O)c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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12n/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 9


(Homo sapiens (Human))
BDBM50344560
PNG
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)
Show SMILES NS(=O)(=O)c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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25n/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 12


(Homo sapiens (Human))
BDBM50344560
PNG
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)
Show SMILES NS(=O)(=O)c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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29n/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 1


(Homo sapiens (Human))
BDBM50344560
PNG
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)
Show SMILES NS(=O)(=O)c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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41n/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 4


(Homo sapiens (Human))
BDBM50344560
PNG
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)
Show SMILES NS(=O)(=O)c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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76n/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