BDBM50143970 CHEMBL61336::N-(2-{4-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-2-phenyl-ethyl)-4-trifluoromethyl-benzamide

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

InChI Key InChIKey=BBODCZQPKZEGJT-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 = 50143970   

TargetCytochrome P450 2D6(Human)
Arqule

Curated by ChEMBL
LigandPNGBDBM50143970(CHEMBL61336 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...)
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

LigandPNGBDBM50143970(CHEMBL61336 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...)
Affinity DataIC50:  253nMAssay Description:Inhibitory concentration against [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in vitro in rat cerebral cortex membrane at ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed