BDBM24585 (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-2-yl (2S)-2-formamido-3-phenylpropanoate::Orlistat derivative, 15k

SMILES CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O

InChI Key InChIKey=KNNBWNDMPJDPEY-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 = 24585   

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

LigandPNGBDBM24585((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...)
Affinity DataIC50: 900nMpH: 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