Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.1 BDBM40979Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM40979 (2-(5-bromanylfuran-2-yl)-6,7-dimethoxy-3,1-benzoxa...) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccc(Br)o1 Show InChI InChI=1S/C14H10BrNO5/c1-18-10-5-7-8(6-11(10)19-2)16-13(21-14(7)17)9-3-4-12(15)20-9/h3-6H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2H993M3
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM40979 (2-(5-bromanylfuran-2-yl)-6,7-dimethoxy-3,1-benzoxa...) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccc(Br)o1 Show InChI InChI=1S/C14H10BrNO5/c1-18-10-5-7-8(6-11(10)19-2)16-13(21-14(7)17)9-3-4-12(15)20-9/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2GX48ZN
					More data for this Ligand-Target Pair