BDBM24573 (2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec-5-en-2-yl (2S)-2-formamido-4-methylpentanoate::Orlistat derivative, 21a

SMILES CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

InChI Key InChIKey=ZIFLRLIRRORGOS-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 = 24573   

TargetFatty acid synthase [2202-2509](Human)
The Burnham Institute For Medical Research

LigandPNGBDBM24573((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec...)
Affinity DataIC50: 120nMpH: 7.4 T: 2°CAssay Description:The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed