BDBM181139 US9138393, beta--Ionone::US9144538, beta-Ionone

SMILES CC1=C(C(CCC1)(C)C)/C=C/C(=O)C

InChI Key InChIKey=PSQYTAPXSHCGMF-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

  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 2 hits for monomerid = 181139   

TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM181139(US9138393, beta--Ionone | US9144538, beta-Ionone)
Affinity DataIC50: 1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2016
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM181139(US9138393, beta--Ionone | US9144538, beta-Ionone)
Affinity DataIC50: 1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
US Patent