New Software Release and 3rd Annual Community Meeting Showcase CDD’s Cloud Based Drug Discovery Application Coming of Age

CDD is proud to announce the release of the third generation of their widely used web-based software platform, aptly dubbed “CDD3”. Anticipating the acceptance of cloud-based collaborative software as an industry standard, CDD has pioneered this field since its first generation software was released five years ago.

The new platform focuses on adding novel features as well as improving on previous releases. The first look at CDD3 was presented to the public in person by Kellan Gregory, Head of Community Interests at the 3rd Annual CDD – UCSF Community Meeting held October 1st (read about it here).

When asked what customers can expect from CDD in the future, Moses Hohman, Ph.D., VP of Development at CDD offered, “We are not resting on our laurels. We fully intend to build on our first-to-market advantage with CDD3 and will continue to innovate. We are excited about the year to come. You can count on CDD to bring you state-of-the-art technology for drug discovery years ahead of the rest of the market.”

When asked about current trends in the market, Barry Bunin, Ph.D., CEO of CDD commented, “Some people say that imitation is the sincerest form of flattery. And yes, it does give us a small sense of validation when we hear in 2009 that many other companies are following our lead and providing hosted solutions for their drug discovery applications – but we knew we were doing the right thing all along. CDD was the first to offer hosted software for drug discovery 5 years ago. We’ve been in the cloud for the longest time in our space, so we have the experience with what really works. The market is embracing the paradigm because it is better value (bang-per-buck) for customers. It is only a matter of time until it becomes the dominant trend because it is fundamentally more economical.”

About the CDD3 platform (CDD Vault, CDD Collaborate, and CDD Public):
CDD3 contains a completely redesigned data import workflow with templates to streamline the data upload process. The rest of the site is organized more intuitively, with a separate section for each distinct major activity. Searching and browsing molecules and protocols, once in two separate sections, are now performed in the “Explore Data” section of the application. The “Share Data” section, intuitively named, makes collaboration (without sacrificing security) a breeze. The new Dashboard brings relevant information forward immediately upon login. The release has been live for one month, with subsequent releases planned on a regular basis incorporating feedback from the growing community. CDD supports alliances, crowd-sourcing, and custom applications.

About Collaborative Drug Discovery, Inc.:
CDD (www.collaborativedrug.com) hosts the most widely used drug discovery cloud platform on the market. “CDD Vault” is the secure, private industrial-strength database combining traditional drug discovery informatics (registration and SAR) with social networking capabilities. “CDD Collaborate” enables real-time collaboration by securely exchanging selected confidential data with external researchers. “CDD Public” has unique content.

Posted November 16th, 2009, in Releases | Comments Off

3rd Annual Collaborative Drug Discovery – UCSF Community Meeting for Catalyzing Humanitarian and Commercial Research to be Held October 1st

SAN FRANCISCO, Sept. 15 /PRNewswire/ — The Gladstone Center for Translational Research and the California Institute for Quantitative Biomedical Research (QB3) at the University of California, San Francisco (UCSF) together with Collaborative Drug Discovery, Inc. (CDD) are pleased to announce the prestigious speakers and panelists that will present at the 3rd Annual Collaborative Drug Discovery – UCSF Community Meeting for Catalyzing Humanitarian and Commercial Research. The meeting is on October 1st, 2009 from 8:30 am – 6:30 pm on the first floor Gladstone Institute Auditorium at the UCSF, Mission Bay Campus (San Francisco, CA, USA) and it is free and open to the general public (see below for registration instructions).

Confirmed speakers and panelists include:

  • Christopher Lipinski, PhD, Melior Discovery, Adjunct Senior Research Fellow (ret.), Pfizer
  • Ken Duncan, PhD, Senior Program Officer, Bill & Melinda Gates Foundation
  • Chris Waller, PhD, Senior Director of Precompetitive Collaborations, Pfizer
  • Tanya Parish, PhD, Acting Director of Drug Discovery, IDRI; Professor of Mycobacteriology, Queen Mary’s School of Medicine
  • Clifton Barry, PhD, Senior Investigator, NIAID/NIH
  • Takushi Kaneko, PhD, Senior Project Leader, Chemistry, TB Alliance
  • Andrea Altieri, PhD, Manager, Marketing & Project Development, ASINEX
  • Biotech Panel: Bard Geesaman (PharmSelex), Ellen Berg (Bioseek), Marc Navre (Ardelyx), Christopher Silvia (Icagen)

Following in the footsteps of our previous two community meetings, we expect this will be an informative, scientifically focused meeting with the opportunity to informally interact with biomedical research scientists from across a wide range of therapeutic areas and specialties including neglected infectious disease research and leading commercial research of interest to biotech and pharmaceutical companies.

There will be two round table panel discussions, one focused on biotech research and a second that brings together academics, pharma industry, non-profit and NIH researchers to discuss topics related to drug discovery and fostering collaboration between research groups. We will also have a poster session for attendees to present their work and several networking opportunities including a post meeting reception.

Dr. Sean Ekins (CDD Collaborations Director), who will be chairing the biotech panel, mentioned, “It is unusual to have thought leaders like these coming together, especially at a free, open symposium for the general public. With posters and networking sessions, this provides a unique forum for scientists interested in commercial and humanitarian drug discovery R&D. We encourage scientists and drug discovery business leaders to attend, interact and find out about the research being done by our keynote speakers, while at the same time learning about how the CDD platform can help scientists archive, mine and collaborate around their data.” CDD scientists will also present their research, provide training, software vision and a development roadmap for the CDD database.

“CDD will showcase new capabilities to the public for the first time, including the secure CDD Vault™ for handling sensitive, private data, CDD Collaborate™ for private-to-private collaborations with new selective projects views, and CDD Public™ which is a constantly growing and more useful set of public data to complement folks private R&D,” Barry Bunin, PhD (CDD President) said. “Each year the community meeting gets bigger and more exciting as CDD’s extended community grows, so please join us to help make this the best meeting yet. Given it is a community based platform, it is more about the scientists involved and we are here to facilitate and help.”

The 3rd Annual community meeting is free thanks to sponsorship from ASINEX, additional sponsorship opportunities are still available for a limited number of partners (contact info@collaborativedrug.com).

Self-register for free at the following URL: https://www.acteva.com/go/cdd

To present a poster email the poster title and abstract to info@collaborativedrug.com

About Collaborative Drug Discovery, Inc.
Collaborative Drug Discovery, Inc. (CDD) provides web-based software platform 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 platform is composed of 3 components, CDD Vault™ for securely storing and handling sensitive, private data, CDD Collaborate™ for enabling secure private-to-private collaborations with new selective projects views, and CDD Public™ which is a set of growing public datasets from the scientific community. The software can be used for example to help 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. Scientists can choose which datasets to keep completely private and which datasets, if any, to share securely with selected colleagues. 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 more information, visit http://www.collaborativedrug.com.

CONTACT: Barry Bunin, Ph.D., President & CEO of Collaborative Drug Discovery (CDD), Inc., +1-650-204-3084, info@collaborativedrug.com

Posted September 15th, 2009, in Events, Press, Releases | Comments Off

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 DIVERSetTM, a 50,000 diverse small molecule dataset covering a broad range of pharmacophore space , CNS-SetTM, 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

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Posted August 31st, 2009, in Data Publication, Releases | Comments Off

CDD Expands Collaboration With TimTec, Publishing Three Additional TimTec Libraries for Public Access

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

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Posted May 22nd, 2009, in Data Publication | Comments Off

CDD Surpasses One Million Compounds Hosted in Constantly Growing Collaborative SAR Database

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

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Posted April 17th, 2009, in Data Publication, Press | Comments Off

CDD’s Tuberculosis Effort Covered by BioInform and Drug Discovery News

Two articles were recently published covering CDD’s new effort for the tuberculosis research community and our collaboration with TBDB. To read more, see Bioinform’s article, “Collaborative Drug Discovery to Use Gates Foundation Grant for Tuberculosis Database”, and the article in Drug Discovery News, “Tuberculosis portal”.

Important note regarding BioInform: Reading the BioInform article once straight through is free. If you visit the article again or hit the back button, you must have a subscription to access the text.

Posted January 29th, 2009, in Press | No Comments »

Collaborative Drug Discovery Receives Gates Foundation Grant to Support the Development of a Database to Accelerate Discovery of New Therapies Against Tuberculosis

Collaborative Drug Discovery, Inc. (CDD) today announced that it has received a grant for $1,896,923 from the Bill & Melinda Gates Foundation to develop a collaborative database that will enable scientists to archive, mine, and selectively collaborate around their research data to discover new cures for tuberculosis (TB). The TB bacillus infects approximately one third of the world’s population and the disease kills over 1.5 million people every year. The CDD TB database will integrate the efforts of academic, other non-profit, and corporate laboratories distributed across the globe and accelerate the discovery of new therapies against this deadly disease.

CDD also announced that it has hired Sean Ekins, PhD, as Director of Collaborations for the project. “The neglected disease research community needs new ways to integrate disjointed drug discovery efforts so that dispersed labs can form efficient virtual pharmaceutical organizations,” said Dr. Ekins. “This project will spark collaborative efforts to discover more effective drugs against TB that are less expensive and easier to administer.”

“This grant promotes our goal of developing more effective medicines for those in developing countries who need them most,” said Ken Duncan, Senior Program Officer at the Gates Foundation. “CDD’s technology will help the entire TB research community to collaborate more easily. We hope it will speed the scientific breakthroughs urgently needed to make effective therapies more accessible to the world’s poorest people, and confront the challenges of multidrug- and extensively drug-resistant TB strains.”

The two-year project will initially involve eight academic research groups and later expand to include other participants. “CDD has already established its software platform as an indispensable tool for many scientists studying neglected infectious diseases including TB,” said Professor Carl Nathan, MD, Chairman, Department of Microbiology and Immunology at Weill Medical College of Cornell University. “This grant from the Gates Foundation will encourage many more researchers to participate in the CDD community.”

“We are thrilled that the Gates Foundation is supporting this project,” said Barry Bunin, PhD, CEO & President of CDD. “Early on, CDD decided to focus on supporting humanitarian as well as commercial drug discovery. This grant validates that decision and provides a model for CDD to work with industry and other foundations targeting additional specific diseases.”

CDD is currently working with the Myelin Repair Foundation (MRF), which has pioneered a research paradigm that organizes diverse academic groups into highly-structured collaborations with a sharp focus on outcomes. “We are delighted to see more organizations and researchers endorse the emerging collaborative model for drug discovery,” said Scott Johnson, President and Founder of the Myelin Repair Foundation (MRF). The MRF and CDD recently partnered to customize CDD’s tools as part of a proof-of concept program to organize data from the MRF’s highly-structured myelin repair scientific collaboration.

About Collaborative Drug Discovery, Inc.

Collaborative Drug Discovery, Inc. (CDD) 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. Scientists can choose which datasets to keep completely private and which datasets, if any, to share securely with selected colleagues. 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 more information, visit http://www.collaborativedrug.com.

For further information please contact:

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

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Posted November 17th, 2008, in Press | 3 Comments »

TimTec and Collaborative Drug Discovery Team Up to Provide Chemically Searchable Natural Products and Derivatives Available to the Scientific Community

TimTec LLC., the international distributor of synthetic organic and natural compounds, and Collaborative Drug Discovery, Inc. (CDD), the community based research information management enterprise, announced today that the CDD web-based software now hosts TimTec’s Natural Product Library and Natural Derivatives Library. The TimTec natural product and derivative compounds are now available as a structure searchable database in the CDD Web2.0 collaborative research information system.

Read the rest of this entry »

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Posted October 17th, 2008, in Press | 1 Comment »

The NIMH Psychoactive Drug Screening Program and Collaborative Drug Discovery Provide a Chemically Searchable GPCR Structure-Activity Relationship Database to the Entire Drug Discovery Community

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

Posted October 15th, 2008, in Data Publication, Press | No Comments »

InnoCentive and CDD partner to offer InnoCentive Solvers free access to CDD’s software

The partnership provides InnoCentive Solvers with software needed to analyze and develop more effective solutions to scientific Challenges. For more details, please download the press release (PDF).

Posted October 1st, 2008, in Press | No Comments »