BDBM50226661 CHEMBL254592::fibraurecdyside A

SMILES C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O

InChI Key InChIKey=MQWJGLSZBHVGLN-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50226661   

TargetCytochrome P450 3A4(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50226661(fibraurecdyside A | CHEMBL254592)
Affinity DataIC50: 1.00E+5nMAssay 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