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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 22416   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0190nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0400nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0400nMAssay Description:Binding inhibition towards human serotonin transporterMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0500nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0770nMAssay Description:Evaluated for affinity at 5-HT uptake site using [3H]paroxetine as radioligand in radioligand binding assayMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0800nMAssay Description:Displacement of [125I]RTI55 binding from human wild type SERTMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]paroxetine from SERT receptor in human platelet membraneMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.110nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.130nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.290nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.340nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]paroxetine from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]paroxetine from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.420nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.420nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.440nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.480nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.530nMAssay Description:Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortexMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.530nMAssay Description:Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar ratsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.730nMAssay Description:Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
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 serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKi:  0.830nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  6.43nMAssay Description:Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortexMore data for this Ligand-Target Pair
TargetBeta-adrenergic receptor kinase 1(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of GRK2 (unknown origin)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKd:  0.130nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERTMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKd:  0.150nMAssay Description:The potency of the [3H]paroxetine for 5-HT transportersMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  0.280nMAssay Description:Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporterMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  0.560nMAssay Description:Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  0.200nMAssay Description:Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  2nMAssay Description:Inhibition of serotonin uptake at human SERT expressed in JAR cellsMore data for this Ligand-Target Pair
TargetMyeloperoxidase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  20nMAssay Description:Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...More data for this Ligand-Target Pair
TargetEnvelope glycoprotein(Zaire ebolavirus (strain Mayinga-76) (ZEBOV) (Zair...)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKd:  6.50E+5nMAssay Description:Binding affinity to Ebola virus Zaire Mayinga-76 recombinant GP protein by SYPRO orange dye-based fluorescence assayMore data for this Ligand-Target Pair
TargetRhodopsin kinase GRK1(Bos taurus)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assayMore data for this Ligand-Target Pair
TargetBeta-adrenergic receptor kinase 1(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  1.38E+3nMAssay Description:Binding affinity of compound towards dopamine transporter determined using [3H]WIN-35 428 as radioligandMore data for this Ligand-Target Pair
TargetBeta-adrenergic receptor kinase 1(Bos taurus)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  1.38E+3nMAssay Description:Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assayMore data for this Ligand-Target Pair
TargetBeta-adrenergic receptor kinase 1(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataKd:  2.98E+3nMAssay Description:Binding affinity to full length human GRK2 by Thermofluor thermal shift assayMore data for this Ligand-Target Pair
TargetBeta-adrenergic receptor kinase 1(Bos taurus)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  780nMAssay Description:Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assayMore data for this Ligand-Target Pair