BDBM50143969 CHEMBL64583::N-(2-{4-[3-(4-Bromo-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-2-phenyl-ethyl)-2,5-dimethoxy-benzenesulfonamide

SMILES COc1ccc(OC)c(c1)S(=O)(=O)NCC(N1CCN(CC(O)COc2ccc(Br)cc2)CC1)c1ccccc1

InChI Key InChIKey=PMSAMVJYHNSFSW-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 = 50143969   

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

Curated by ChEMBL
LigandPNGBDBM50143969(CHEMBL64583 | N-(2-{4-[3-(4-Bromo-phenoxy)-2-hydro...)
Affinity DataKi:  3.00E+4nMAssay 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
LigandPNGBDBM50143969(CHEMBL64583 | N-(2-{4-[3-(4-Bromo-phenoxy)-2-hydro...)
Affinity DataIC50:  522nMAssay 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