BDBM562264 US11401270, Example 90

SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3ncccc3C2=O)cc1)c1cccs1

InChI Key InChIKey=ZCIGGHXQZKUFCP-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 562264   

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

US Patent
LigandPNGBDBM562264(US11401270, Example 90)
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:
10/23/2022
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM562264(US11401270, Example 90)
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:
10/23/2022
Entry Details
Go to US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM562264(US11401270, Example 90)
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:
10/23/2022
Entry Details
Go to US Patent