BDBM388597 US9944618, Compound ID No. 133

SMILES NC[C@@H](Cc1ccccc1O)c1ccc2ccccc2c1

InChI Key InChIKey=HTHWWEGFBMOAFL-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 = 388597   

TargetSodium-dependent noradrenaline transporter(Human)
Mayo Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 388597BDBM388597(US9944618, Compound ID No. 133)
Affinity DataKi:  34.6nMAssay Description:NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent

TargetSodium-dependent dopamine transporter(Human)
Mayo Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 388597BDBM388597(US9944618, Compound ID No. 133)
Affinity DataKi:  52.7nMAssay Description:DAT: This protocol was designed to measure inhibition of uptake by the human dopamine transporter. The reagents were human DAT (HEK293F) cells, GBR 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent

TargetSodium-dependent serotonin transporter(Human)
Mayo Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 388597BDBM388597(US9944618, Compound ID No. 133)
Affinity DataKi:  116nMAssay Description:SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Mayo Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 388597BDBM388597(US9944618, Compound ID No. 133)
Affinity DataIC50: 580nMAssay Description:Cytochrome P450 3A4 and 2D6:Recombinant enzymes, 3A4 and 2D6, generated using the ABL yeast expression system were used. For CYP3A4, the enzyme amoun...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Mayo Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 388597BDBM388597(US9944618, Compound ID No. 133)
Affinity DataIC50: 1.00E+4nMAssay Description:Cytochrome P450 3A4 and 2D6:Recombinant enzymes, 3A4 and 2D6, generated using the ABL yeast expression system were used. For CYP3A4, the enzyme amoun...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent