BDBM50297082 (S)-N-cyclobutyl-2-(methylthio)-N-(pyrrolidin-3-yl)benzamide::CHEMBL541196

SMILES CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1

InChI Key InChIKey=VLCYASXBDSCXJI-UHFFFAOYSA-N

Data  3 KI  2 IC50

  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 5 hits for monomerid = 50297082   

TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50297082((S)-N-cyclobutyl-2-(methylthio)-N-(pyrrolidin-3-yl...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
LigandPNGBDBM50297082((S)-N-cyclobutyl-2-(methylthio)-N-(pyrrolidin-3-yl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Displacement of [3H]dofetilide from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
LigandPNGBDBM50297082((S)-N-cyclobutyl-2-(methylthio)-N-(pyrrolidin-3-yl...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50297082((S)-N-cyclobutyl-2-(methylthio)-N-(pyrrolidin-3-yl...)
Affinity DataKi:  62nMAssay Description:Displacement of [3H]citalopram from human recombinant SERT expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50297082((S)-N-cyclobutyl-2-(methylthio)-N-(pyrrolidin-3-yl...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of radioligand from human recombinant DAT expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed