BDBM35226 (S,S)-reboxetine::Reboxetine::Vestra

SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1

InChI Key InChIKey=CBQGYUDMJHNJBX-OALUTQOASA-N

Data  26 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 35226   

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM35226((S,S)-reboxetine | Reboxetine | Vestra)
Affinity DataKi:  2.00E+4nMAssay Description:Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM35226((S,S)-reboxetine | Reboxetine | Vestra)
Affinity DataIC50:  2nMAssay Description:Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2D6(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM35226((S,S)-reboxetine | Reboxetine | Vestra)
Affinity DataIC50:  3.16E+3nMAssay Description:Inhibition of human recombinant CYP2D6 by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM35226((S,S)-reboxetine | Reboxetine | Vestra)
Affinity DataIC50:  3.16E+3nMAssay Description:Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed