BDBM24588 (1R)-1-{[(2S,3S)-3-butyl-4-oxooxetan-2-yl]methyl}dodecyl N-formylglycinate::Orlistat derivative, 17b

SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCC)OC(=O)CNC=O

InChI Key InChIKey=CCKRSVWPCJJLMW-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 = 24588   

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

LigandPNGBDBM24588((1R)-1-{[(2S,3S)-3-butyl-4-oxooxetan-2-yl]methyl}d...)
Affinity DataIC50: 1.35E+3nMpH: 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 Depth
Date in BDB:
9/28/2008
Entry Details Article
PubMed