BDBM485780 (S)-3-(5-Chlorothiophen-2-yl)-N-methyl-3-(quinolin-5-yloxy)propan-1-amine and (R)-3-(5-chlorothiophen-2-yl)-N-methyl-3-(quinolin-5-yloxy)propan-1-amine::US10941138, Example 78::US10941138, Example 79

SMILES CNCC[C@@H](Oc1cccc2ncccc12)c1ccc(Cl)s1

InChI Key InChIKey=RXAFOXHLNBBCQQ-UHFFFAOYSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 485780   

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485780((S)-3-(5-Chlorothiophen-2-yl)-N-methyl-3-(quinolin...)
Affinity DataKi: <100nMAssay 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
In Depth
Date in BDB:
9/20/2021
Entry Details
Go to US Patent

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485780((S)-3-(5-Chlorothiophen-2-yl)-N-methyl-3-(quinolin...)
Affinity DataKi: <100nMAssay 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
In Depth
Date in BDB:
9/20/2021
Entry Details
Go to US Patent

TargetNeuroepithelial cell-transforming gene 1 protein(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485780((S)-3-(5-Chlorothiophen-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
In Depth
Date in BDB:
9/20/2021
Entry Details
Go to US Patent

TargetNeuroepithelial cell-transforming gene 1 protein(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485780((S)-3-(5-Chlorothiophen-2-yl)-N-methyl-3-(quinolin...)
Affinity DataKi:  750nMAssay 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
In Depth
Date in BDB:
9/20/2021
Entry Details
Go to US Patent

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485780((S)-3-(5-Chlorothiophen-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
In Depth
Date in BDB:
9/20/2021
Entry Details
Go to US Patent

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM485780((S)-3-(5-Chlorothiophen-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
In Depth
Date in BDB:
9/20/2021
Entry Details
Go to US Patent