BDBM50146502 (3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::CHEMBL100879

SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC

InChI Key InChIKey=JBOWHEDUACRXHK-KJMIXQDXSA-N

Data  3 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 3 hits for monomerid = 50146502   

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

Curated by ChEMBL
LigandPNGBDBM50146502((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)
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(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146502((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)
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
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146502((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)
Affinity DataKi:  74nMAssay Description:In vitro binding affinity towards human serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed