BDBM472906 Piperidin-4-ylmethyl 4-fluoro-4-((((1R,2S)-2-phenyl- cyclopropyl)amino)methyl) piperidine-1-carboxylate::US10836743, Compound (1R,2S)-A43

SMILES c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F

InChI Key InChIKey=CMYNDDNZDLGSJZ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 472906   

TargetLysine-specific histone demethylase 1A(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM472906(Piperidin-4-ylmethyl 4-fluoro-4-((((1R,2S)-2-pheny...)
Affinity DataIC50: 49.7nMAssay Description:Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision (PerkinElmer, USA).MATERIALS: Human r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2021
Entry Details
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PDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM472906(Piperidin-4-ylmethyl 4-fluoro-4-((((1R,2S)-2-pheny...)
Affinity DataIC50: 2.97E+4nMAssay Description:Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision (PerkinElmer, USA).MATERIALS: Human recomb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2021
Entry Details
Go to US Patent

TargetAmine oxidase [flavin-containing] B(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM472906(Piperidin-4-ylmethyl 4-fluoro-4-((((1R,2S)-2-pheny...)
Affinity DataIC50: 1.00E+5nMAssay Description:Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision (PerkinElmer, USA).MATERIALS: Human recomb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2021
Entry Details
Go to US Patent