BDBM50557446 CHEMBL4756591

SMILES [H][C@@]12CCCN1c1nc(NCC)ncc1C(=O)N(C2)c1cccc(OC(CCNC)c2ccccc2)c1

InChI Key InChIKey=QLIONHKEMUXUQB-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 50557446   

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

Curated by ChEMBL
LigandPNGBDBM50557446(CHEMBL4756591)
Affinity DataKi:  336nMAssay 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
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50557446(CHEMBL4756591)
Affinity DataKi:  842nMAssay 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
LigandPNGBDBM50557446(CHEMBL4756591)
Affinity DataIC50: 1.53E+3nMAssay 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