BDBM281017 (8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-aminobutyl)-14-(3-aminopropyl)-4-chloro-9-methyl-1-morpholino-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 201
SMILES: CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Cl)cnc(N3CCOCC3)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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...) | BDBM281017 ((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 | 400 | 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 |