BDBM22416 (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine::(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine::CHEMBL490::PAROXETINE::US09969700, Paroxetine::US9944618, Compound ID No. 182::[3H]Paroxetine

SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1

InChI Key InChIKey=AHOUBRCZNHFOSL-YOEHRIQHSA-N

Data  100 KI  34 IC50  7 Kd

PDB links: 10 PDB IDs match this monomer.

  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 6 hits for monomerid = 22416   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.800nMAssay 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
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  145nMAssay 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 DepthDetails US PatentDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  388nMAssay 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 DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  5.40E+3nMAssay Description:HERG: The pre- and post-compound hERG current was evoked by a single voltage pulse consisting of a 20 s period holding at −70 mV, a 160 ms step...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
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
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  3.10E+3nMAssay 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
In DepthDetails US Patent