BDBM222272 5-(4-Bromo-phenyl)-4[2-(4-bromo-phenyl)-2-oxo-ethyl]-2-methyl-furan-3-carboxylic acid methyl ester (3e)

SMILES COC(=O)c1c(C)oc(c1CC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1

InChI Key InChIKey=BGWWCBMXCLVXGD-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 222272   

TargetSeed linoleate 13S-lipoxygenase-1(Soybean)
Csir-Indian Institute of Chemical Biology

LigandPNGBDBM222272(5-(4-Bromo-phenyl)-4[2-(4-bromo-phenyl)-2-oxo-ethy...)
Affinity DataIC50: 1.28E+4nMpH: 8.0Assay Description:SLO inhibition was studied by spectrophotometric assay by measuring the change in the absorbance at 234 nm due to formation of hydroperoxylinoleic ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2017
Entry Details Article
PubMed
TargetLipoxygenase(Soybean)
Csir-Indian Institute of Chemical Biology

LigandPNGBDBM222272(5-(4-Bromo-phenyl)-4[2-(4-bromo-phenyl)-2-oxo-ethy...)
Affinity DataKi:  70.9nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2017
Entry Details Article
PubMed