BDBM50490621 CHEMBL2338048

SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1

InChI Key InChIKey=DPINDTNFGDXWLU-LRDDRELGSA-N

Data  1 KI  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50490621   

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

Curated by ChEMBL
LigandPNGBDBM50490621(CHEMBL2338048)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membraneMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50490621(CHEMBL2338048)
Affinity DataIC50:  16nMAssay Description:Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptakeMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50490621(CHEMBL2338048)
Affinity DataIC50:  3.98E+3nMAssay Description:Inhibition of human recombinant CYP2D6 by luminescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50490621(CHEMBL2338048)
Affinity DataIC50:  0.316nMAssay Description:Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptakeMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed