BindingDB PrimarySearch

BDBM50344558 4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylphenyl)propanoyloxy)phenyl)acrylate::CHEMBL1778437

SMILES: COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)CCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=USKFDRXEOZVGAS-XYOKQWHBSA-N

Data: 5 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50344558
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50344558 (4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	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
U.O. Oculistica Az. USL 3 Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50344558 (4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...) Show SMILES Show InChI	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	93	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
U.O. Oculistica Az. USL 3 Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50344558 (4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	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
U.O. Oculistica Az. USL 3 Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50344558 (4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	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
U.O. Oculistica Az. USL 3 Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50344558 (4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...) Show SMILES Show InChI	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	395	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
U.O. Oculistica Az. USL 3 Curated by ChEMBL					More data for this Ligand-Target Pair