BDBM50168077 CHEMBL3798279

SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOCCOc1cccc2ccccc12

InChI Key InChIKey=UPYIDQGFWFRRPG-UHFFFAOYSA-N

Data  3 KI  1 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 4 hits for monomerid = 50168077   

TargetSodium-dependent serotonin transporter(Human)
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168077(CHEMBL3798279)
Affinity DataIC50: 420nMAssay Description:Inhibition of human SERT W103A mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2017
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168077(CHEMBL3798279)
Affinity DataKi:  450nMAssay Description:Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2017
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168077(CHEMBL3798279)
Affinity DataKi:  6.40E+3nMAssay Description:Inhibition of human SERT I172M mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2017
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168077(CHEMBL3798279)
Affinity DataKi:  6.50E+3nMAssay Description:Inhibition of wild-type human SERT expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2017
Entry Details Article
PubMed