BDBM50168074 CHEMBL3799072

SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOc1ccc2ccccc2c1

InChI Key InChIKey=MTXKCUBGCBAAFD-UHFFFAOYSA-N

Data  3 KI  1 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 4 hits for monomerid = 50168074   

TargetSodium-dependent serotonin transporter(Human)
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168074(CHEMBL3799072)
Affinity DataIC50: 440nMAssay 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
LigandPNGBDBM50168074(CHEMBL3799072)
Affinity DataKi:  640nMAssay 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
LigandPNGBDBM50168074(CHEMBL3799072)
Affinity DataKi:  1.50E+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
TargetSodium-dependent serotonin transporter(Human)
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168074(CHEMBL3799072)
Affinity DataKi:  2.00E+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