BDBM50143968 4-Fluoro-N-(2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-2-phenyl-ethyl)-benzamide::CHEMBL64491

SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccc(F)cc2)c2ccccc2)cc1

InChI Key InChIKey=XWQSINYMRRJYBS-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 = 50143968   

LigandPNGBDBM50143968(4-Fluoro-N-(2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-...)
Affinity DataIC50: 531nMAssay 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
LigandPNGBDBM50143968(4-Fluoro-N-(2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-...)
Affinity DataKi:  3.00E+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