BDBM24981 (3S,4S)-1-(benzyloxy)-3-hexyl-4-[(2S)-2-hydroxyheptyl]azetidin-2-one::beta-lactam derivative of orlistat, 13

SMILES CCCCCC[C@H]1[C@H](C[C@@H](O)CCCCC)N(OCc2ccccc2)C1=O

InChI Key InChIKey=XMUBXACBBZNHQM-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 = 24981   

TargetFatty acid synthase [2202-2509](Human)
Texas A&M University

LigandPNGBDBM24981((3S,4S)-1-(benzyloxy)-3-hexyl-4-[(2S)-2-hydroxyhep...)
Affinity DataIC50: 5.05E+4nMpH: 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:
10/13/2008
Entry Details Article
PubMed