BDBM50557452 CHEMBL4747320::US11401270, Example 57

SMILES CNCCC(Oc1cccc(c1)N1CCN(C)c2cccnc2C1=O)c1cccs1

InChI Key InChIKey=DXVNGVMZAPBUCS-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50557452   

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

Curated by ChEMBL
LigandPNGBDBM50557452(CHEMBL4747320 | US11401270, Example 57)
Affinity DataKi: >1.00E+3nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50557452(CHEMBL4747320 | US11401270, Example 57)
Affinity DataKi:  1.25E+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
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50557452(CHEMBL4747320 | US11401270, Example 57)
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
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50557452(CHEMBL4747320 | US11401270, Example 57)
Affinity DataIC50:  213nMAssay 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