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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50143976   

TargetCytochrome P450 2D6(Homo sapiens (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 ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Arqule

Curated by ChEMBL
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 ArticlePubMed