BDBM281034 (11S,14S,17S)-14-(4-Amino-butyl)-22-(4-aminomethyl-phenyl)-11-(3-amino-propyl)-25-chloro-17-(1H-indol-3-ylmethyl)-16-methyl-2-thia-4,10,13,16,19-pentaaza-tricyclo[19.4.0.0*3,8*]pentacosa-1(25),3(8),4,6,21,23-hexaene-12,15,18-trione::US10030047, Example 243
SMILES: CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(CN)cc1
InChI Key:
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adhesin Ata autotransporter (Acinetobacter baumannii (strain ATCC 17978 / CIP 5...) | BDBM281034 ((11S,14S,17S)-14-(4-Amino-butyl)-22-(4-aminomethyl...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
HOFFMANN-LA ROCHE INC. US Patent | Assay Description The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso... | US Patent US10030047 (2018) BindingDB Entry DOI: 10.7270/Q2XW4MTP | |||||||||||
More data for this Ligand-Target Pair |