BDBM24988 1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate::Orlistat, 5

SMILES CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O

InChI Key InChIKey=AHLBNYSZXLDEJQ-UHFFFAOYSA-N

Data  1 KI

  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 = 24988   

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

LigandPNGBDBM24988(1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formam...)
Affinity DataKi:  300nM ΔG°:  -9.25kcal/molepH: 7.5 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 ArticlePubMed