BDBM281006 3-[(11S,14S,17S)-14-(4-Amino-butyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-23-phenyl-25-trifluoromethyl-2-thia-10,13,16,19-tetraaza-tricyclo[19.4.0.0*3,8*]pentacosa-1(25),3,5,7,21,23-hexaen-11-yl]-propionamide::US10030047, Example 155

SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(c2Sc2ccccc2CN[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C1=O)C(F)(F)F)-c1ccccc1

InChI Key InChIKey=LYYFQXQSBVFEOY-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 = 281006   

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

US Patent
LigandPNGBDBM281006(3-[(11S,14S,17S)-14-(4-Amino-butyl)-17-(1H-indol-3...)
Affinity DataIC50: 2.70E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2018
Entry Details
US Patent