BDBM485786 (S)-3-(3-Fluorothiophen-2-yl)-N-methyl-3-(quinolin-5-yloxy)propan-1-amine and (R)-3-(3-fluorothiophen-2-yl)-N-methyl-3-(quinolin-5-yloxy)propan-1-amine::US10941138, Example 84::US10941138, Example 85

SMILES CNCC[C@H](Oc1cccc2ncccc12)c1sccc1F

InChI Key InChIKey=RUZCAHKGJLXNSF-INIZCTEOSA-N

Data  6 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 6 hits for monomerid = 485786   

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

US Patent
LigandPNGBDBM485786((S)-3-(3-Fluorothiophen-2-yl)-N-methyl-3-(quinolin...)
Affinity DataKi:  300nMAssay 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
TargetNeuroepithelial cell-transforming gene 1 protein(Homo sapiens)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485786((S)-3-(3-Fluorothiophen-2-yl)-N-methyl-3-(quinolin...)
Affinity DataKi:  300nMAssay 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
LigandPNGBDBM485786((S)-3-(3-Fluorothiophen-2-yl)-N-methyl-3-(quinolin...)
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
LigandPNGBDBM485786((S)-3-(3-Fluorothiophen-2-yl)-N-methyl-3-(quinolin...)
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
LigandPNGBDBM485786((S)-3-(3-Fluorothiophen-2-yl)-N-methyl-3-(quinolin...)
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
LigandPNGBDBM485786((S)-3-(3-Fluorothiophen-2-yl)-N-methyl-3-(quinolin...)
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