BDBM50297078 (S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolidin-3-yl)benzamide::CHEMBL556539

SMILES CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1

InChI Key InChIKey=WXQUVTDLXMNHNT-UHFFFAOYSA-N

Data  3 KI  2 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 5 hits for monomerid = 50297078   

LigandPNGBDBM50297078((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...)
Affinity DataKi:  6nMAssay 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
LigandPNGBDBM50297078((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...)
Affinity DataKi:  266nMAssay 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
TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50297078((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...)
Affinity DataIC50: 480nMAssay Description:Inhibition of CYP2D6More 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
LigandPNGBDBM50297078((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...)
Affinity DataKi:  3.67E+3nMAssay 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
LigandPNGBDBM50297078((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...)
Affinity DataIC50: 7.57E+3nMAssay 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