BDBM11986 3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::chemical diversity library compound 11

SMILES COc1ccc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)cc1Br

InChI Key InChIKey=KHUCIKRVCMDNPU-YRNVUSSQSA-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 1 hit for monomerid = 11986   

TargetLethal factor(Bacillus anthracis)
Montana State University

LigandPNGBDBM11986(3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4...)
Affinity DataKi:  3.30E+3nM ΔG°:  -7.52kcal/mole IC50:  4.70E+3nMpH: 7.2 T: 2°CAssay Description:For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed