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)	Ligand	Target/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	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50344560 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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