ChemBridge Corporation and Collaborative Drug Discovery Announce Strategic Collaboration to Provide Diverse Chemical Libraries Together with Researchers Own Private Data

Burlingame, California, August 31, 2009 — ChemBridge Corporation, a leading discovery chemistry company offering an extensive portfolio of discovery chemistry products and contract research services, has now made ten of their most popular screening libraries available to researchers via the Collaborative Drug Discovery (CDD) Public Access database. Now for the first time, researchers can access ChemBridge Libraries alongside a growing body of public data from leading vendors, researchers, scientific literature, and patent resources. CDD subscribers can access the data directly from their private groups, mining the libraries using their own private data to more effectively identify compounds of interest within the ChemBridge datasets, increasing the efficiency of identifying drug candidates. “The CDD database is an effective platform for biological and chemical data storage and mining, and knowing that a number of our client companies and research organizations are actively using the CDD database, we wanted to ensure that our clients could easily integrate ChemBridge screening library data into their workflow within the CDD database,” said Duncan Beniston, Executive Director Sales & Marketing, ChemBridge.

The libraries being offered include ChemBridge’s DIVERSet^TM, a 50,000 diverse small molecule dataset covering a broad range of pharmacophore space , CNS-Set^TM, containing 56,000 molecules with an increased probability of blood brain barrier penetration, as well as eight other libraries from ChemBridge’s impressive portfolio. In total, more than 600,000 ChemBridge molecules will be available through the CDD Database. “The CDD community for private access and the entire researcher community for public access both benefit when valuable new molecules and data are added to the database, such as the latest compounds available right off the shelf from ChemBridge,” says CDD CEO Barry Bunin, PhD, “and experimental and computational scientists with this new technology can view whole libraries and drill down to individual compounds from multiple data feeds. It is a new way of simultaneously interacting with lots of data from lots of collaborations.”

With the CDD database previously consisting of well over a million compounds, ChemBridge’s libraries join an impressive list of co-contributors. With the ongoing help of academic, non-profit, and industry contributors, CDD is continuously expanding the public database with both chemical and biological data. Collectively, these data sets and the software are being accessed by thousands of cutting edge researchers around the world. Anyone can register for free read-only access to these new and all public data sets on CDD’s website (www.collaborativedrug.com/register), read-and-write access (including the ability to archive, mine, and collaborate around private data and to import and export both private and public data) can be accessed following a free trial with full commercial access (contact: info@collaborativedrug.com). The compounds are available for testing hypotheses from ChemBridge (www.chembridge.com), additional molecules not in the public site can be ordered and the corresponding structures can also be archived in private sites and linked to biological activity data.

About Collaborative Drug Discovery, Inc.
Collaborative Drug Discovery, Inc. (CDD) – http://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.

About ChemBridge Corporation
ChemBridge Corporation, www.chembridge.com, is a leading global discovery chemistry company providing custom chemistry services, small molecule screening compound libraries and specialty building blocks for organic synthesis. ChemBridge is a San Diego based company with an impeccable 15 year track record of quality and deliverability and operates a state-of-the-art offshore discovery chemistry research site in Moscow, Russia. ChemBridge’s CRO business includes multi-year strategic alliances with major pharmaceutical companies as well as mid-size pharmaceutical and biotech companies. Over 500 pharmaceutical and biotech companies and universities worldwide have also taken advantage of ChemBridge’s portfolio of products, including its library of 10,000 specialty building blocks and 800,000 drug-like and lead-like small molecule screening compounds.

For further information please contact:

Barry Bunin, Ph.D.
President & CEO
Collaborative Drug Discovery (CDD)
1633 Bayshore Hwy, Suite 342
Burlingame, CA 94010
info@collaborativedrug.com

Duncan Beniston
Executive Director, Sales & Marketing
ChemBridge Corporation
Phone: 1-858-451-7400
Email: duncan@chembridge.com

Last October, Collaborative Drug Discovery (CDD) and TimTec established a collaboration in which CDD’s web-based data management system would host two TimTec Natural Products libraries on their free community Public Access site.  Through this partnership, researchers would be able to register for a free account with CDD allowing them to chemically mine the contents of these TimTec compound libraries using CDD’s powerful, intuitive web-based database software.

TimTec has now published three additional compound collections distinct in screening approach and design for CDD research community access: 1) Diversity Set, screening library of 10,000 cmpds, 2) ActiTarg-K, Kinase Modulators Library of over 6,000 cmpds, and 3) OTG-Inhibitors Analogs SET, 300 cmpds. Total number of TimTec molecules is now about 20,000 including previously published two collections of Natural Products.

Resourceful Diversity Set is a general screening collection of drug-like compounds that present most diversified selection from TimTec stock. ActiTarg-K is diverse targeted library of kinase modulators. Smaller compound set of O-GlcNAc Transferase inhibitors analogs selection is further narrowed down in design to structural characteristics of only few known and potent molecules.

TimTec’s five databases are joined with more than 25 other databases containing chemical and biological data hosted on CDD Public Access, 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
• Over 15,000 compounds with Malaria assay data from 5 public data sources
• 48,818 compounds from the Distributed Drug Discovery (D3) at Indiana University – Purdue University Indianapolis (IUPUI)
• Almost 7,500 compounds with Tuberculosis antibacterial and cell viability information from 4 public data sets and growing thanks to their collaboration with the Bill & Melinda Gates Foundation
• Over 200,000 compounds collected by Molecular Libraries Small Molecule Repository (MLSMR) for testing against Mtb H37Rv.

About Collaborative Drug Discovery, Inc.
Collaborative Drug Discovery, Inc. (CDD) – http://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.

About TimTec LLC:
TimTec LLC. – http://www.timtec.net – is a privately held company located in Newark Delaware, USA. It was founded in 1995 and began its work in the areas of acquisition and distribution of synthetic organic and natural compounds, custom synthesis, and laboratory equipment to become a full service partner for drug discovery. TimTec has established a global network of thousands of scientists from research centers around the world. The company has developed strong in-house expertise assembling general and targeted library collections for variety of research purposes. International customers include major pharmaceutical, biotech, agricultural, and educational companies and institutions, which use TimTec products for research and development programs.

For further information please contact:

Barry Bunin, Ph.D.
President & CEO
Collaborative Drug Discovery (CDD)
1633 Bayshore Hwy, Suite 342
Burlingame, CA 94010
info@collaborativedrug.com

Kay Denisova
Business Development
TimTec LLC.
Harmony Business Park Building 301-A
Newark, DE 19711
Tel 302 292 8500
Fax 302 292 8520
info@timtec.net

http://www.timtec.net

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) – http://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
Phone: 650-204-3084
info@collaborativedrug.com

Collaborative Drug Discovery, Inc. (CDD), in partnership with the NIMH Psychoactive Drug Screening Program (PDSP) directed by Dr. Bryan L. Roth at the University of North Carolina Chapel Hill, announced today that CDD’s web-based software now hosts the largest open-access chemical sub-structure and similarity searchable G-Protein Coupled Receptor (GPCR) Ki database. The PDSP Ki database of 47,312 inhibitor equilibrium dissociation constants (Ki values) for 699 receptor targets is now available as a structure searchable database in the CDD Web 2.0 collaborative research information system.

The PDSP Ki database is a unique resource in the public domain which provides information on the abilities of drugs to interact with an expanding number of molecular targets. The Ki database serves as a data warehouse for published and internally-derived Ki, or affinity, values for a large number of drugs and drug candidates at a growing number of G-protein coupled receptors, ion channels, transporters and enzymes.

“The PDSP Ki database web site, hosted by the University of North Carolina Medical Center, received about 1 million hits in the last year,” said Dr. Bryan Roth, PDSP Project Director and Professor of Pharmacology. This data is now available with chemical structure searching in the CDD system for everyone to view. Adds Dr. Roth, “The CDD Database is an extremely elegant platform. I highly recommend it for anyone generating drug discovery data.”

“It is a privilege to work with Dr. Bryan Roth to provide open access to the PDSP Ki data via the CDD platform,” said Dr. Barry Bunin, President of Collaborative Drug Discovery. “CDD provides the PDSP Ki data in a traditional structure/SAR mineable database combined with novel-to-the-world secure, collaborative public and private data integration capabilities. With ~40% of all small molecule drugs acting on GPCR targets, this will help the research community develop new drugs and better predict potential drug off target related side effects and likely drug-drug interferences.”

The PDSP Ki database joins 12 other publicly available data sources in the CDD system with chemical and biological data for over 40,000 compounds including:

• 1,700 FDA approved drugs with indications and sponsors
• Over 15,000 compounds with Malaria assay data from 5 public data sources
• More than 850 compounds with Tuberculosis antibacterial activity information
• A data set of almost 3,500 Natural Products and Derivatives
• 25,000+ compounds available for purchase

About the NIMH Psychoactive Drug Screening Program

The NIMH Psychoactive Drug Screening Program (PDSP) – http://pdsp.med.unc.edu – provides screening of novel psychoactive compounds for pharmacological and functional activity at cloned human or rodent CNS receptors, channels, and transporters as a contractor to National Institute of Mental Health (NIMH). Screening of compounds is provided to qualified academic investigators at no cost using assays for a large number of cloned human or rodent cDNAs for CNS receptors, channels and transporters, as well as functional assays to determine effects on second messenger systems, channel activity and transporter function. Ki values are calculated and registered to the PDSP database. Cloned receptors are also available at no cost to qualified investigators. For a list of current receptors/transporters go to http://pdsp.med.unc.edu/pdspw/clones.php.

For further information please contact:

Barry Bunin, PhD
President & CEO
Collaborative Drug Discovery (CDD)
1818 Gilbreth Road, Suite 220
Burlingame, CA 94010
Phone: 650-204-3084
info@collaborativedrug.com

Bryan Roth, M.D., Ph.D.
University of North Carolina Chapel Hill
Department of Pharmacology School of Medicine
CB 7365, 8032 Burnett-Womack Building
Chapel Hill, NC 27599
Phone: 919-966-7535
Fax: 919-843-5788
bryan_roth@med.unc.edu

ASINEX and Collaborative Drug Discovery (CDD), Inc. have formed a collaboration showcasing ASINEX high value compound libraries via the CDD Community Database. The first high value set offered is the ASINEX Lead Generation Library with additional libraries to follow. ASINEX and CDD have created special screening sets tailored to the specific needs of (and now available via the CDD Database to any) academic researchers. The combined information is being made available to the general public via CDD for the first time at https://www.collaborativedrug.com/register.

Mark Parisi, the Executive Director at ASINEX stated, “CDD has an impressive group of collaborators and ASINEX looks forward to helping this group with its early drug discovery efforts.”

Barry Bunin, the President of CDD commented, “This begins a qualitatively different phase of the CDD platform by bringing quality industry products and services to the growing community — and vice-versa.”

Every compound uploaded from ASINEX can be viewed within the context of your own private, secure data for scaffold jumping via substructure or Tanimoto similarity search within the merged data for lead identification and optimization. The main premise is for new screens, fewer compounds of higher quality are often required. This means more different scaffolds with fewer compounds per scaffold for greater coverage of novel chemical space (novel IP) without creating compounds so lipophilic that they violate the more traditional rule of 5 (which ASINEX has further refined to a rule of 4.5).

CDD has included other complementary data sets including a list of FDA/Ophran approved drugs courtesy of Dr. Christopher Lipinski, a set of known aggregators likely to cause false positives courtesy of Dr. Brian Shoichet, a set of toxicity profiles on known compounds courtesy of Dr. Sean Ekins, and numerous sets of Malaria and Tuberculosis SAR data which can now be compared with commercial compounds from ASINEX in personal, secure private groups.

From a purely economical perspective, a strong argument can be made that it makes sense to screen fewer, high-quality compounds resulting in higher quality leads at lower overall cost. ASINEX has a strong reputation for quality, especially in Europe. This collaboration with CDD will help bring awareness of these compounds to academic laboratories and smaller startup companies who require a more cost-effective mechanism for collaborative drug discovery.

About ASINEX: With more than a fourteen year history, ASINEX is a world leader in supplying compound libraries, focused libraries, custom libraries, and building blocks for early drug discovery. ASINEX also has a growing list of partners who have decided to utilize its computational, custom synthesis, and biology services for lead optimization projects. The company has a total of 151 chemists (54 Ph.D.), 9 computational chemists (7 Ph.D.) and 38 biologists / biochemists (24 Ph.D.). For more info please contact:

ASINEX Corporation
Mark Parisi
Executive Director
Toll Free Tel.: 1-877-ASINEX1 (1-877-274-6391)
Email: MParisi@asinex.com

About CDD: CDD is the world’s first platform for selectively sharing collaborative drug discovery data. Scientists working with the CDD community platform can pool their research in order to more effectively develop new drug candidates for commercial and humanitarian markets. Conceived in 2003, and formally launched in 2004, Collaborative Drug Discovery (CDD) has been serving the collaborative data needs of researchers for years. The CDD global community includes hundreds of scientists from leading research foundations, academia and industry. A subset of the data is available openly to the public at no cost. For more information, please visit http://www.collaborativedrug.com or contact:

Collaborative Drug Discovery, Inc. (CDD, Inc.)
Barry Bunin, PhD
President
info@collaborativedrug.com
Tel: (650) 204-3084

Collaborative Drug Discovery has captured extensive literature data from six years of recent publications focused on the fight against Chagas’ disease. Now, for the first time, these data are available to researchers free of charge, via the CDD Database.

Sources include the Journal of Medicinal Chemistry, Bioorganic & Medicinal Chemistry, the Journal of American Chemical Society, Journal of Ethnopharmacology, Proceedings of the National Academy of Sciences (PNAS), International Journal of Antimicrobial Agents, Bioorganic & Medicinal Chemistry Letters, European Journal of Medicinal Chemistry, Molecular and Biochemical Parasitology, Journal of Inorganic Biochemistry, Acta Topical,
and Experimental Parasitology.

The data sets captured include 574 compound structures and just over 350 different enzyme, cell, animal, and toxicity based protocols. The data are conveniently organized so scientists can easily mine for hits, sub-structural motifs or keywords and obtain the original literature reference for more detailed analysis.

These data sets will help researchers better prioritize compounds to test experimentally and
build superior models to guide experiments.

This project is the first of a series literature data capture projects focused on drug discovery research into neglected infectious diseases. In addition to literature data, community members also provide open access to some of their experimental results either pre- or post-publication. The CDD global community includes leading researchers from four continents.

To access this data set, please register for a free account.

Collaborative Drug Discovery, Inc. (CDD, Inc.) and St. Jude Children’s Research Hospital have joined together for a project aimed at speeding the development of new drugs to overcome resistant strains of malaria.

The collaboration combines the malaria drug data and informatics technology of CDD with the drug discovery expertise of the St. Jude Department of Chemical Biology and Therapeutics. Informatics is the use of computer hardware and software to extract and manage knowledge from large databases.

“CDD’s databases will probably help us reduce the number of potential molecules we’ll need to analyze from tens of millions down to hundreds of thousands,” said Kip Guy, Ph.D., chair of the St. Jude Department of Chemical Biology and Therapeutics. “Our own screening capability will significantly reduce that to a much smaller number of promising compounds.
This will be a widely used database. We are already making the data freely available through CDD so that other researchers can use different analytical strategies to identify potential new anti-malarial drugs.”

The collaboration is designed to help scientists quickly screen millions of chemicals, based on their structure and their chemical and biological properties, to find those that are most likely to make effective anti-malaria drugs. The key to this quest to find the drug “needle in the haystack” is the enormous two-volume collection of data from studies on malarial drugs published by the U.S. Army in 1946.

This 61-year-old publication, “A Survey of Malaria Drugs,” was originally edited by Frederick Y. Wiselogle and had contributions from a number of leading researchers of the time. The two-volume set was designed to help researchers develop effective anti-malarial drugs; and to serve as a model for how scientists could develop drugs for other infections,
according to the authors of that publication. The collection presents the structures of many compounds and the results of studies on their biochemical activity in animals, data on how they work in the body, how long they last, and other pharmacological data, in addition to their level of toxicity. The results of the animal studies represent one of the largest sets of published data on the structure-activity relationship (SAR) of molecules against a single disease, Guy said. SAR refers to the link between a molecule’s specific structure and the biological effect it has because of that structure.

CDD scanned the information from the original publication into a computer database and organized it into a format that can be read, searched and shared. This more convenient format will enable St. Jude scientists to use the information to develop models of new anti-malaria drugs and predict their efficacy, toxicity, and how the body will respond to them.

Based on such models, St. Jude researchers are conducting a comprehensive analysis of “relevant chemical space” of these molecules, something that has never before been done for malarial drug research, Guy said. Relevant chemical space refers to the study of individual families of molecules whose members all share a similar structure that holds promise for a
specific therapeutic use. Concentrating on only certain families of molecules likely to have the desired effect saves time and speeds the discovery of the few molecules most likely to have all the characteristics needed for an effective anti-malaria drug, he said.

The anti-malarial drug study is the first of several planned by CDD to help the research community discover drugs for orphan infectious diseases—disorders for which there is little commercial interest in developing drugs. Future CDD communities are planned in other more commercial areas, such as cancer research and selected gene families.

To access this historical set of Malaria Animal SAR data for the first time, either visit http://www.collaborativedrug.com/register or e-mail info@collaborativedrug.com for the username and password to the open data sets.

About Collaborative Drug Discovery: CDD is the world’s first platform for selectively sharing collaborative drug discovery data. Scientists working with the CDD community platform can pool their research in order to more effectively develop new drug candidates for commercial and humanitarian markets. Conceived in 2003, and formally launched in 2004,
Collaborative Drug Discovery (CDD) has been serving the collaborative data needs of researchers for years. The CDD global community includes hundreds of scientists from leading research foundations, academia and industry. A subset of the data is available openly to the public at no cost.

About St. Jude Children’s Research Hospital
St. Jude Children’s Research Hospital is internationally recognized for its pioneering work in finding cures and saving children with cancer and other catastrophic diseases. Founded by late entertainer Danny Thomas and based in Memphis, Tenn., St. Jude freely shares its discoveries with scientific and medical communities around the world. No family ever pays for treatments not covered by insurance, and families without insurance are never asked to pay. St. Jude is
financially supported by ALSAC, its fundraising organization. For more information, please visit www.stjude.org.