アブストラクト
| Date | September 24, 2012 |
| Speaker | Dr. Kazuyoshi Ikeda, EMBL-EBI |
| Title | Overview of the ChEMBLdb: A database of drug, lead and target data |
| Abstract |
The ChEMBL database (https://www.ebi.ac.uk/chembl) is a large collection of drug-like small molecules, abstracted bioactivity and curated SAR data. The latest version (chembl_14) contains over 1.3 million distinct compounds and in excess of more than 10 million bioactivity records abstracted from over 46000 publications. We will discuss the process used to build, update and integrate ChEMBL with PubChem and ChemSpider. Our ChEMBL group also develops other resources such as ChEMBL-NTD, Kinase/ GPCR SARfari and DrugEBIlity. We will discuss the ways of querying the database from either a chemistry-led or biology-led perspective. Biochem Soc Trans., 39, 1365 (2011) Bellis LJ, Akhtar R, Al-Lazikani B, Atkinson F, Bento AP, Chambers J, Davies M, Gaulton A, Hersey A, Ikeda K, Krüger FA, Light Y, McGlinchey S, Santos R,Stauch B, Overington JP. |