Compile Data Set for Download or QSAR
maximum 50k data
Found 34 of ic50 for monomerid = 22416
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

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(Rattus norvegicus (rat))
Research Triangle Institute

Curated by ChEMBL
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

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

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
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Research Triangle Institute

Curated by ChEMBL
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
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
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  100nMAssay Description:Inhibition of norepinephrine uptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetTransporter(Rattus norvegicus)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  535nMAssay Description:Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  623nMAssay Description:Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetSubstance-P receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  900nMAssay Description:Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Faes Farma

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50: >1.00E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 1A receptor (5-HT1A) by displacement of [3H]8-OH-DPAT from rat hippocampus membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Faes Farma

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50: >1.00E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat prefrontal cerebral cortex mambranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50: >1.00E+3nMAssay Description:Binding affinity against dopamine transporter (DAT) by displacement of [3H]WIN-35428 in male wistar ratsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
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 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
TargetP2X purinoceptor 4(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  1.87E+3nMAssay Description:Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 4(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  1.87E+3nMAssay Description:Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 4(RAT)
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  2.45E+3nMAssay Description:Antagonist activity at rat P2X4 receptor by cell-based calcium influx assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 4(RAT)
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  2.45E+3nMAssay Description:Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 4(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  4.00E+3nMAssay Description:The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetP2X purinoceptor 4(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  4.68E+3nMAssay Description:Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetQuinolone resistance protein NorA(Staphylococcus aureus)
Universita` Degli Studi Di Perugia

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University Of Heidelberg

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  2.98E+4nMAssay Description:TP_TRANSPORTER: cell accumulation of calcein in L-MDR1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Huazhong University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50:  3.19E+4nMAssay Description:Inhibition of human Kv1.3 expressed in HEK293 cells assessed as inhibition of tetracyclin induced current at holding potential of -80 mV by patch cla...More data for this Ligand-Target Pair
In DepthDetails PubMed
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
TargetRhodopsin kinase GRK1(Homo sapiens (Human))
Temple University

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG protein-coupled receptor kinase 5(Homo sapiens (Human))
Temple University

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG protein-coupled receptor kinase 5(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 GRK5 after 5 mins after 5 mins in presence of ATP by phosphorimaging assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed