BDBM50167993 1,6-hexanolide::2-oxacycloheptanone::2-oxohexamethylene oxide::6-hexanolactone::6-hydroxyhexanoic acid lactone::6-hydroxyhexanoic acid, epsilon-lactone::CHEMBL373123::caprolactone::epsilon-caprolactone monomer::hexan-6-olide::hexano-6-lactone::hexanoic acid, epsilon-lactone::oxepan-2-one

SMILES C1CCC(=O)OCC1

InChI Key InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N

Data  1 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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50167993   

TargetCytochrome P450 1A2(Human)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167993(oxepan-2-one | hexano-6-lactone | 1,6-hexanolide |...)
Affinity DataIC50: 4.00E+7nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed