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BDBM24587 (2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5-en-2-yl (2S)-2-formamido-3-phenylpropanoate::Orlistat derivative, 15i

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

InChI Key: InChIKey=LIWIWSHTANOZLM-BRECWNGJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24587   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24587
PNG
((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5...)
Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O
Show InChI InChI=1S/C26H37NO5/c1-3-5-7-12-16-22-24(32-25(22)29)18-21(15-9-6-4-2)31-26(30)23(27-19-28)17-20-13-10-8-11-14-20/h4,6,8,10-11,13-14,19,21-24H,3,5,7,9,12,15-18H2,1-2H3,(H,27,28)/b6-4+/t21-,22-,23-,24-/m0/s1
PDB
MMDB

KEGG

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KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.04E+3n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair