null

SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCCOCCCN1c2ccccc2CCc2ccccc12

InChI Key InChIKey=MNSWHLYZMLDYRF-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50168062   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168062(CHEMBL3800215)copy SMILEScopy InChI
Affinity DataKi:  2.80E+3nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9S1WPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168062(CHEMBL3800215)copy SMILEScopy InChI
Affinity DataKi:  1.00E+4nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9S1WPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168062(CHEMBL3800215)copy SMILEScopy InChI
Affinity DataKi:  1.10E+4nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9S1WPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Aarhus University

Curated by ChEMBL
LigandPNGBDBM50168062(CHEMBL3800215)copy SMILEScopy InChI
Affinity DataIC50: 4.10E+3nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9S1WPubMed