BDBM50131347 (3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::(3R,3aS)-7,8-Dimethoxy-3-[4-(3-phenyl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::CHEMBL419316

SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC

InChI Key InChIKey=YMYZKGIHGMHZDL-WDAWEKNVSA-N

Data  29 KI

  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 29 hits for monomerid = 50131347   

TargetAlpha-2C adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  0.200nMAssay Description:Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  0.200nMAssay Description:In vitro binding affinity to human alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  0.300nMAssay Description:In vitro binding affinity to the human alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of [3H]- rauwolscine binding to human alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for alpha-2C-adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity for alpha-2A-adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  4.5nMAssay Description:In vitro binding affinity towards human serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  4.5nMAssay Description:Inhibition of [3H]- paroxetine binding to 5-HTT receptor, serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  10nMAssay Description:In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rat)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  10nMAssay Description:In vitro binding affinity towards rat serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  10nMAssay Description:In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rat)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  10nMAssay Description:In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  10nMAssay Description:Binding affinity for serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  14nMAssay Description:Inhibition of [3H]- rauwolscine binding to alpha-2B adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  30nMAssay Description:In vitro binding affinity towards rat serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  30nMAssay Description:In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransporter(Rat)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  220nMAssay Description:Inhibition of [3H]-nisoxetine binding to Norepinephrine transporter from rat cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rat)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  368nMAssay Description:Inhibition of [3H]WIN-35428 binding to Dopamine transporter of rat striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  405nMAssay Description:In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  405nMAssay Description:In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi:  611nMAssay Description:Inhibition of [125I]-iodosulpiride binding to Dopamine receptor D3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [125I]- R91150 binding to 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]pyrilamine binding to Histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]spiperone binding to Dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(4) dopamine receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]spiperone binding to Dopamine receptor D4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]- mesulergine binding to 5-hydroxytryptamine 2C receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]- prazosin binding to alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50131347((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed