BDBM50557456 CHEMBL4753306::US11401270, Example 61

SMILES CNCC[C@H](Oc1cccc(c1)N1CCN(C)CCC1=O)c1cccs1

InChI Key InChIKey=SOZQYEAKFLBWCU-SFHVURJKSA-N

Data  5 KI  1 IC50

  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 = 50557456   

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM50557456(CHEMBL4753306 | US11401270, Example 61)
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
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM50557456(CHEMBL4753306 | US11401270, Example 61)
Affinity DataKi:  382nMAssay Description:Displacement of [3H]-nisoxetine from human NET expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM50557456(CHEMBL4753306 | US11401270, Example 61)
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
LigandPNGBDBM50557456(CHEMBL4753306 | US11401270, Example 61)
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
LigandPNGBDBM50557456(CHEMBL4753306 | US11401270, Example 61)
Affinity DataKi:  2.80E+3nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM50557456(CHEMBL4753306 | US11401270, Example 61)
Affinity DataIC50:  97nMAssay Description:Inhibition of human NET expressed in HEK293 cells assessed as reduction in ASP+ uptake incubated for 20 mins before ASP+ addition and measured after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed