Brief Information of the Compound and Protein
Compound Name
(2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl)amino]propanamide
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PubChem ID
CID: 131682
SID: 14825333
Canonical SMILES
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
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Compound Formula C17H19FN2O2
Compound Structure
Protein Name
Amine oxidase [flavin-containing] B
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P27338
Gene Name
MAOB
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  8
1
IC50 = 5.129 nM
   TI
   LI
   LO
   TS
2
IC50 = 23 nM
   TI
   LI
   LO
   TS
3
IC50 = 23.07 nM
   TI
   LI
   LO
   TS
4
IC50 = 23.1 nM
   TI
   LI
   LO
   TS
5
IC50 = 24 nM
   TI
   LI
   LO
   TS
6
IC50 = 25.3 nM
   TI
   LI
   LO
   TS
7
IC50 = 29 nM
   TI
   LI
   LO
   TS
8
Ki = 2.29 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 163 nM
   TI
   LI
   LO
   TS
2
IC50 = 249 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 15000 nM
2 IC50 = 7 nM
3 IC50 = 7.67 nM
4 IC50 = 9 nM
5 IC50 = 17 nM
6 IC50 = 29 nM
7 IC50 = 48 nM
8 IC50 = 63 nM
9 IC50 = 80 nM
10 IC50 = 98 nM
11 IC50 = 112 nM
12 IC50 = 450 nM
13 IC50 = 8160 nM
14 IC50 = 25300 nM