BDBM8523 (1S,2R,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-hydroxycyclohexyl N-(2-carbamimidamidophenyl)carbamate::Guanidinylated 2,5-dideoxystreptamine deriv. 10
SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-[#8]-[#6](=O)-[#7]-c1ccccc1\[#7]=[#6](/[#7])-[#7]
InChI Key: InChIKey=JYPZKHXIDVTVJP-PJQZNRQZSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Anthrax Lethal Factor (LF) (Bacillus anthracis) | BDBM8523 ((1S,2R,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-hyd...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.48E+4 | -6.22 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Hawaii Biotech Inc. | Assay Description The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o... | Bioorg Med Chem Lett 16: 1527-31 (2006) Article DOI: 10.1016/j.bmcl.2005.12.038 BindingDB Entry DOI: 10.7270/Q2FB5146 | |||||||||||
More data for this Ligand-Target Pair |