BDBM50143953 CHEMBL64831::N-(2-{4-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-2-phenyl-ethyl)-4-methoxy-benzamide

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

InChI Key InChIKey=URQWJWPHOBMLGB-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 = 50143953   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50143953(CHEMBL64831 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...)
Affinity DataKi:  8.00E+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
LigandPNGBDBM50143953(CHEMBL64831 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...)
Affinity DataIC50:  871nMAssay 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