BDBM388541 US9944618, Compound ID No. 75

SMILES CNCC(Cc1ccccc1)c1ccc2cccnc2c1

InChI Key InChIKey=DDFXHQQVDBZXHR-UHFFFAOYSA-N

Data  3 KI  2 IC50

  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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 388541   

TargetSodium-dependent serotonin transporter(Human)
Mayo Foundation

US Patent
LigandPNGBDBM388541(US9944618, Compound ID No. 75)
Affinity DataKi:  2.10nMAssay 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

TargetSodium-dependent noradrenaline transporter(Human)
Mayo Foundation

US Patent
LigandPNGBDBM388541(US9944618, Compound ID No. 75)
Affinity DataKi:  10.4nMAssay 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
LigandPNGBDBM388541(US9944618, Compound ID No. 75)
Affinity DataKi:  505nMAssay 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

TargetCytochrome P450 2D6(Human)
Mayo Foundation

US Patent
LigandPNGBDBM388541(US9944618, Compound ID No. 75)
Affinity DataIC50: 560nMAssay 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
LigandPNGBDBM388541(US9944618, Compound ID No. 75)
Affinity DataIC50: 1.60E+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