BDBM651520 2-[4-[(11S,14S,17S)-14-(4-Aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16,25-dimethyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3::US20240050516, Example 10.01

SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(C)ccc2-c1ccn(CC(O)=O)c(=O)c1

InChI Key InChIKey=QMURKCFFAGSDND-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 651520   

TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche

US Patent
LigandPNGBDBM651520(2-[4-[(11S,14S,17S)-14-(4-Aminobutyl)-11-(3-aminop...)
Affinity DataIC50: 78nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure: The assay used a 10-points Is...More data for this Ligand-Target Pair
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Date in BDB:
4/23/2024
Entry Details
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