CDD Surpasses One Million Compounds Hosted in Constantly Growing Collaborative SAR Database
April 17, 2009
Collaborative Drug Discovery, Inc. (CDD) is proud to announce that CDD’s Web 2.0 collaborative research information system now hosts over 1 million structure searchable compounds. The accelerated adoption of CDD by academic, non-profit and corporate customers for securely storing focused chemical and biological research data validates CDD’s new paradigm in online research information management.
“The 1 millionth structure is a key milestone for CDD, the culmination of large compound contributions from several customers, including the University of Texas Austin Screening Center,” said Dr. Barry Bunin, CEO and President of Collaborative Drug Discovery. “More importantly, it demonstrates that CDD capabilities and performance scales – searches are very rapid, a substructure search of even a molecule as common as (-) Epinephrine will generate all the hits in just seconds.”
“It has been great to work with the CDD database and wonderful customer support team,” said Dr. Eun Jeong Cho at the TI3D Screening at the University of Texas Austin. “We are impressed with the CDD system which is accurate, fast, and identified data inconsistencies that we might not have seen in our quality control reports.”
Notes Sean Ekins, PhD, CDD Collaborations Director, “The 1 millionth structure, (4-chlorophenyl) N-benzylcarbamate, is from Maybridge’s HitFinder screening compound library which is part of the University of Texas TI3D Screening Center’s private CDD data set. CDD allows secure searching of both private data and the CDD Public Access data. Searching the CDD public data shows this Maybridge compound is 68% similar to rivastigmine which is used to treat Alzheimer’s and Parkinson’s disease. In addition to the maximum dosing information for rivastigmine in the CDD public data, integrated linking to ChemSpider finds further useful properties and references.”
CDD’s hosted compounds include several publicly available data sources with chemical and biological data for 140,000 chemical structures only available via CDD, including:
- 47,000 Ki values for 20,000 compounds against 699 GPCR targets from the NIMH Psychoactive Drug Screening Program at the University of North Carolina
- 48,818 compounds from the Distributed Drug Discovery (D3) at Indiana University – Purdue University Indianapolis (IUPUI)
- Unique compounds from ASINEX’s Synergy, Focused & Building Blocks Libraries
- TimTec’s databases of Natural Products and Derivatives
- Over 15,000 compounds with Malaria assay data from 5 public data sources
- Almost 7,500 compounds with Tuberculosis antibacterial and cell viability information from 4 public data sets and growing thanks to our collaboration with the Bill & Melinda Gates Foundation
Plus much more…
About Collaborative Drug Discovery, Inc.
Collaborative Drug Discovery, Inc. (CDD) – https://www.collaborativedrug.com – provides web-based software that organizes preclinical research data to help scientists advance new drug candidates more effectively. The CDD database enables scientists to “archive, mine, and collaborate”® around preclinical chemical and biological drug discovery data through a web-based interface. The software helps distributed research groups to safely store and intelligently analyze small molecule, enzyme, cell and animal bioactivity data accumulated from both low-throughput and high-throughput screens. Unique collaboration features and CDD’s community-oriented approach help unite globally dispersed humanitarian efforts against neglected infectious diseases. Similar collaborative strategies are also rapidly gaining prominence in the commercial arena. CDD offers its industrial-strength database software at a price affordable to academic laboratories, research foundations, and small companies.
For further information please contact:
Barry Bunin, PhD
President & CEO
Collaborative Drug Discovery (CDD)
1818 Gilbreth Road, Suite 220
Burlingame, CA 94010