BDBM50146509 (3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-pyridin-3-yl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::CHEMBL98889

SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccnc5)CC4)ON=C3c2cc1OC

InChI Key InChIKey=GEBHRBBICJPJRU-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50146509   

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

Curated by ChEMBL
LigandPNGBDBM50146509((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-pyridin-3-...)
Affinity DataKi:  2.10nMAssay Description:In vitro binding affinity to human alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146509((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-pyridin-3-...)
Affinity DataKi:  22nMAssay Description:In vitro binding affinity to the human alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Janssen-Cilag

Curated by ChEMBL
LigandPNGBDBM50146509((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-pyridin-3-...)
Affinity DataKi:  63nMAssay Description:In vitro binding affinity towards human serotonin transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed