BDBM50146518 (3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]-piperazin-1-ylmethyl}-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::CHEMBL318235::R-226161::cis-(+)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole::cis-(+/-)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole::cis-(-)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole

SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC

InChI Key InChIKey=UCNOTTVNPRSTFW-XSFNXXSESA-N

Data  16 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 16 hits for monomerid = 50146518   

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

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  0.700nMAssay Description:In vitro binding affinity to human alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  1.20nMAssay Description:In vitro binding affinity towards human serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  3.40nMAssay Description:In vitro binding affinity to the human alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  28nMAssay Description:Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  28nMAssay Description:Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransporter(Rattus norvegicus)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  70nMAssay Description:Displacement of [3H]nisoxetine from rat NETMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  74nMAssay Description:Displacement of [3H]pyrilamine from human cloned histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  125nMAssay Description:Displacement of [3H]prazosin from human cloned alpha-1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  310nMAssay Description:Displacement of [3H]substance P from human cloned NK1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  375nMAssay Description:Displacement of [125I]iodosulpiride from human cloned dopamine D3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146518((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Affinity DataKi:  583nMAssay Description:Displacement of [3H]WIN-35428 from rat DATMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed