BDBM485752 (S)-3-(5-fluorothiophen-2- yl)-3-(isoquinolin-5-yloxy)- N-methylpropan-1-amine::US10941138, Example 50

SMILES CNCC[C@H](Oc1cccc2cnccc12)c1ccc(F)s1

InChI Key InChIKey=VSPQUEJVFMLXRB-HNNXBMFYSA-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 = 485752   

TargetNeuroepithelial cell-transforming gene 1 protein(Homo sapiens)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485752((S)-3-(5-fluorothiophen-2- yl)-3-(isoquinolin-5-yl...)
Affinity DataKi: <100nMAssay Description:Human norepinephrine transporter (NET) enriched membranes (5 μg) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer contain...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485752((S)-3-(5-fluorothiophen-2- yl)-3-(isoquinolin-5-yl...)
Affinity DataKi:  1.75E+3nMAssay Description:Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485752((S)-3-(5-fluorothiophen-2- yl)-3-(isoquinolin-5-yl...)
Affinity DataKi:  1.75E+3nMAssay Description:Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent