BDBM50226662 CHEMBL251229::stepharanine

SMILES COc1cc2CC[n+]3cc4c(OC)c(O)ccc4cc3-c2cc1O

InChI Key InChIKey=BENXORZPKXUGMY-UHFFFAOYSA-O

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50226662   

TargetCytochrome P450 3A4(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50226662(stepharanine | CHEMBL251229)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of human CYP3A4 expressed in Escherichia coli assessed as inhibition of nifedipine oxidationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed