Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 334.3 BDBM222268

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
Lipoxygenase (Glycine max (Soybean))	BDBM222268 (2-Methyl-4-(2-oxo-2-phenyl-ethyl)-5-phenyl-furan-3...) Show SMILES COC(=O)c1c(C)oc(c1CC(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H18O4/c1-14-19(21(23)24-2)17(13-18(22)15-9-5-3-6-10-15)20(25-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	662	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR - Indian Institute of Chemical Biology					Assay Description The crystal structure of soybean lipoxygenase-1 (PDB code: 3PZW), was used in our docking experiments. The 3D structure of 3PZW was reported by Chrus...				Bioorg Chem 71: 97-101 (2017) Article DOI: 10.1016/j.bioorg.2017.01.016 BindingDB Entry DOI: 10.7270/Q2F76BCD
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM222268 (2-Methyl-4-(2-oxo-2-phenyl-ethyl)-5-phenyl-furan-3...) Show SMILES COC(=O)c1c(C)oc(c1CC(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H18O4/c1-14-19(21(23)24-2)17(13-18(22)15-9-5-3-6-10-15)20(25-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.85E+4	n/a	n/a	n/a	n/a	8.0	n/a
CSIR - Indian Institute of Chemical Biology					Assay Description SLO inhibition was studied by spectrophotometric assay by measuring the change in the absorbance at 234 nm due to formation of hydroperoxylinoleic ac...				Bioorg Chem 71: 97-101 (2017) Article DOI: 10.1016/j.bioorg.2017.01.016 BindingDB Entry DOI: 10.7270/Q2F76BCD
					More data for this Ligand-Target Pair