BDBM360616 N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]-4-chloro-benzamide::US9828374, Example 3

SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1

InChI Key InChIKey=YPAFSDUNVXHRDR-SFHVURJKSA-N

Data  2 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 2 hits for monomerid = 360616   

TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Hoffmann-La Roche

US Patent
LigandPNGBDBM360616(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Affinity DataKi:  9.60nMAssay Description:The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Hoffmann-La Roche

US Patent
LigandPNGBDBM360616(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Affinity DataKi:  56.2nMAssay Description:HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent