BDBM50143973 CHEMBL291629::N-Benzyl-2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-2-p-tolyl-acetamide

SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1

InChI Key InChIKey=KMHISVGFSBFXJA-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 = 50143973   

LigandPNGBDBM50143973(N-Benzyl-2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-pro...)
Affinity DataIC50: 579nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Arqule

Curated by ChEMBL
LigandPNGBDBM50143973(N-Benzyl-2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-pro...)
Affinity DataKi:  4.00E+3nMAssay Description:Predictive competitive inhibition of cytochrome P450 2D6 was determined in silicoMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed