BDBM50078694 (S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propionamide; compound with methanesulfonic acid::CHEMBL48582

SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O

InChI Key InChIKey=NEMGRZFTLSKBAP-UHFFFAOYSA-N

Data  5 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 10 hits for monomerid = 50078694   

TargetAmine oxidase [flavin-containing] B(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 14nMAssay Description:Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated for 15 mins followed by enzyme addition and measured after 20 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 20nMAssay Description:Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2012
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 29nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate by fluorescence based methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 37nMAssay Description:Inhibition of human recombinant MAO B expressed in baculovirus infected in BTI insect cells by spectrofluorimetric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 43nMAssay Description:Inhibition of human MAO-B preincubated with compound for 10 mins followed by substrate addition and measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 60nMAssay Description:Inhibition of recombinant human MAO-B using benzylamine as substrate incubated for 20 mins by fluorescence microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rat)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibition of [3H]batrachotoxin binding to rat brain sodium channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2012
Entry Details Article
PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rat)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 8.20E+3nMAssay Description:Binding of [3H]batrachotoxin (BTX) to rat brain sodium channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2018
Entry Details Article
PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rat)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 3.00E+5nMAssay Description:Binding of [3H]saxitoxin (STX) to rat brain sodium channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2018
Entry Details Article
PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rat)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50078694((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of [3H]saxitoxin binding to rat brain sodium channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2012
Entry Details Article
PubMed