BDBM50143976 2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-2-(4-fluoro-phenyl)-N-(4-methoxy-benzyl)-acetamide::CHEMBL64114

SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(F)cc2)cc1

InChI Key InChIKey=HMLQTQMYJXPNPS-UHFFFAOYSA-N

Data  1 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 2 hits for monomerid = 50143976   

LigandPNGBDBM50143976(2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-p...)
Affinity DataIC50: 343nMAssay Description:In vitro inhibition of [3H]batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Arqule

Curated by ChEMBL
LigandPNGBDBM50143976(2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-p...)
Affinity DataKi:  3.00E+3nMAssay Description:Predictive competitive inhibition of cytochrome P450 2D6 was determined in silicoMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed