December 16, 2009
We downloaded from PubChem BioAssay website 13,652 small molecule compounds showing activity in 28 PPI assays among the following 7 targets:
- toll-like receptor 4
- Hepatitis C virus core protein (dimerization inhibition)
- Tyrosine-protein kinase TYRO11
- runt-related transcription factor 1 isoform AML1c
- core-binding factor, beta subunit isoform 1
- mitogen-activated protein kinase kinase kinase kinase 2
- mitogen-activated protein kinase kinase kinase 3 isoform 1
Only 10,031 unique compounds were retained after filtering and merging the activity data. These 10,031 biologically active PPI compounds formed our Reference Database.
Life Chemicals collection of small organic molecules was searched for compounds similar to those included in Reference Database using MDL public keys and the Tanimoto similarity cut-off of 90%. As a result of this effort 34,031 Life Chemicals compounds were identified, sorted in the order of their similarity to the Reference dataset and included in Life Chemicals Protein-Protein Interaction Library.