BDBM50557443 CHEMBL4748644::US11401270, Example 54

SMILES CCNc1ccc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3cccs3)c1)C2=O

InChI Key InChIKey=DZLGMNWIHGPMMA-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 50557443   

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50557443(CHEMBL4748644 | US11401270, Example 54)
Affinity DataIC50: 41nMAssay 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
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50557443(CHEMBL4748644 | US11401270, Example 54)
Affinity DataKi:  75nMAssay 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
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50557443(CHEMBL4748644 | US11401270, Example 54)
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
In Depth
Date in BDB:
10/23/2022
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50557443(CHEMBL4748644 | US11401270, Example 54)
Affinity DataKi:  755nMAssay 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
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50557443(CHEMBL4748644 | US11401270, Example 54)
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:
10/23/2022
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50557443(CHEMBL4748644 | US11401270, Example 54)
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:
10/23/2022
Entry Details
Go to US Patent