BDBM11978 (1E,6E)-4-(1,3-dithian-2-ylidene)-1,7-bis(furan-2-yl)hepta-1,6-diene-3,5-dione::chemical diversity library compound 3

SMILES O=[#6](\[#6]=[#6]\c1ccco1)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#6]-[#16]-1

InChI Key InChIKey=CDXRSHKKQZISJY-CDJQDVQCSA-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 = 11978   

TargetLethal factor(Bacillus anthracis)
Montana State University

LigandPNGBDBM11978((1E,6E)-4-(1,3-dithian-2-ylidene)-1,7-bis(furan-2-...)
Affinity DataKi:  2.70E+3nM ΔG°:  -7.64kcal/mole IC50:  3.20E+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