BDBM8525 4-{[(1S,2R,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-(2,4-dicarbamimidamidophenoxy)cyclohexyl]oxy}benzene-1,3-diguanidine::Guanidinylated 2,5-dideoxystreptamine deriv. 14

SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#6]-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]-1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7]

InChI Key InChIKey=UTEMDCWTKUYYCM-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 8525   

TargetLethal factor(Bacillus anthracis)
Hawaii Biotech

LigandPNGBDBM8525(4-{[(1S,2R,4S,5R)-2,4-bis(carbamimidamidomethyl)-5...)
Affinity DataKi:  65nM ΔG°:  -9.70kcal/molepH: 7.4 T: 2°CAssay Description:The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed