PCI DB (Protein-Compound Interaction Database)

Protein Search
gene symbol, protein name, ChEMBL classification, UniProt accession, EntrezGene ID
  ex) CDK7, RAC1, adiponectin, secretase, cmgc, P11387, 5879
Compound Search
DrugBank ID, CTD Chemical ID, ChEMBL Compound ID,
PubChem Compound ID, compound name
  ex) DB03068, C009131, CHEMBL483749, 100016, phenylalanine Pubchem Compound ID File upload

We started to compile a Protein-Compound Interaction Database (PCI DB) by collecting and merging information from dispersed databases with the aim of preparing information infrastructure for the next generation protein science.

PCI DB is licensed under Creative Commons licenses.

Data sources

ChEMBL    http//www.ebi.ac.uk/chembl/


ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties and abstracted bioactivities.  The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs. It contains more than 8,000 target proteins as of February, 2011.

DrugBank    http//www.drugbank.ca/


Resource that combines detailed drug data with drug target information. The database contains nearly 6800 drug entries including >1,431 FDA-approved small molecule drugs, 133 FDA-approved biotech drugs, 83 nutraceuticals and >5,212 experimental drugs. Additionally, 4477 non-redundant protein sequences are linked to these drug entries. DrugBank is supported by David Wishart, University of Alberta.

CTD    http://ctd.mdibl.org/


CTD (Comparative Toxicogenomics Database) includes manually curated data describing cross-species chemical-gene/protein interactions and chemical- and gene-disease relationships. These data will also provide insights into complex chemical-gene and protein interaction (approximately 480,000 interactions as of March, 2012, networks. CTD is being developed at the Mount Desert Island Biological Laboratory (MDIBL).

PubChem BioAssay    http://www.ncbi.nlm.nih.gov/pcassay


PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative. PubChem includes substance information, compound structures, and BioActivity data in three primary databases. PCBioAssay contains more than 480,000 BioAssays as of March, 2012.