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SMILES CNC[C@@H]([C@H](O)c1cccnc1)c1ccc(OC)c(C)c1

InChI Key InChIKey=VGYNYEFIVWGCPR-NVXWUHKLSA-N

  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 = 388521   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM388521(US9944618, Compound ID No. 55)copy SMILEScopy InChI
Affinity DataKi:  1.80nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26D5WBRUS Patent
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM388521(US9944618, Compound ID No. 55)copy SMILEScopy InChI
Affinity DataKi:  4.60nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26D5WBRUS Patent
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM388521(US9944618, Compound ID No. 55)copy SMILEScopy InChI
Affinity DataKi:  1.64E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26D5WBRUS Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM388521(US9944618, Compound ID No. 55)copy SMILEScopy InChI
Affinity DataIC50: 810nMAssay Description:Cytochrome P450 3A4 and 2D6:Recombinant enzymes, 3A4 and 2D6, generated using the ABL yeast expression system were used. For CYP3A4, the enzyme amou...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26D5WBRUS Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM388521(US9944618, Compound ID No. 55)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+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 amou...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26D5WBRUS Patent