BDBM281014 (8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-aminobutyl)-14-(3-aminopropyl)-4-chloro-1-(2-methoxypyridin-4-yl)-9-methyl-5,6,8,9,11,12,15,16-octahydrobenzo[b]pyrido[4,3-p][1,5,8,11,14]thiatetraazacycloheptadecine-7,10,13(14H)-trione::US10030047, Example 196
SMILES: COc1cc(ccn1)-c1ncc(Cl)c2CNC(=O)[C@H](Cc3c[nH]c4ccccc34)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN)NCc3ccccc3Sc12
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...) | BDBM281014 ((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...) | 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 |