The Molecular Libraries Program (MLP), a component of the NIH Common Fund, offers public sector biomedical researchers access to the large-scale screening capacity necessary to identify small molecules that can be optimized as chemical probes to study the functions of genes, cells, and biochemical pathways. This will lead to new ways to explore the functions of genes and signaling pathways in health and disease.

The Molecular Libraries Probe Production Centers Network (MLPCN), as part of the MLP, is a nationwide consortium of small molecule centers that produces innovative chemical tools for use in biological research. The MLPCN solicits novel assays from the research community for high throughput screening (HTS) against a library of 350,000 chemically diverse small molecules maintained in a central repository (the Molecular Libraries Small Molecule Repository; MLSMR). Validated screening hits are optimized by medicinal chemistry to produce useful in vitro chemical probes. All of the results from the MLPCN’s activities are deposited into an open access database, PubChem, for use in studying biology and disease.

The MLPCN brings together over 100 experienced medicinal chemists from five academic institutions and one NIH intramural center to focus on the development of high quality probes from screening hits. The lead medicinal chemists have extensive industrial experience from both biotech and large pharmaceutical companies. MLPCN probes cover highly diverse targets, biology and disease areas with many probes moving on as potential leads in drug discovery efforts after exiting the MLPCN.

This book brings together structure and biological information on the probes produced by the MLPCN in collaboration with the investigators who provided the screening assays. This information will be periodically updated with new probe information from the active MLPCN Centers.

Contents

• Year 6 Reports
  • SMN Modulator ML372 Increases SMN Protein Abundance, Body Weight, Lifespan, and Rescues Motor Function in SMNΔ7 SMA Mice
    Barrington G. Burnett, Jingbo Xiao, Noel Southall, Wei Zheng, Marc Ferrer, Jonathan J. Cherry, Elliot J. Androphy, Kenneth Fischbeck, and Juan J. Marugan.
    Received: December 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of the First Potent, Selective and CNS penetrant M5 Negative Allosteric Modulator (NAM)
    Patrick R. Gentry, Masaya Kokubo, Thomas M. Bridges, J. Scott Daniels, Colleen M. Niswender, Emery Smith, Peter Chase, Peter S. Hodder, Hugh Rosen, P. Jeffrey Conn, Julie Engers, Katrina A. Brewer, Michael R. Wood, and Craig W. Lindsley.
    Received: December 9, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Inhibitors of Myocyte Triacylglyceride Accumulation
    Paul M. Hershberger, Eliot Sugarman, Patrick Maloney, Satyamaheshwar Peddibhotla, Ada Koo, Eigo Suyama, Manuel E. Ruidiaz, Susanne Heynen-Genel, Kevin H. Nguyen, Stefan Vasile, Arianna Mangravita-Novo, Layton H. Smith, Mangala M. Soundarapandian, Sumeet Salaniwal, Paul Kung, Rick B. Vega, Thomas D.Y. Chung, Anthony B. Pinkerton, Siobhan Malany, and Daniel P. Kelly.
    Received: December 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • An in Vivo Active Carbamate-based Dual Inhibitor of Lysophospholipase 1 (LYPLA1) and Lysophospholipase 2 (LYPLA2)
    Jonathan J Hulce, Chris Joslyn, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: December 9, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • A Candidate Cell-Selective Anticancer Agent
    Timothy A. Lewis, Luc de Waal, Willmen Youngsaye, Lara Gechijian, Mark Hickey, Patrick Faloon, Oliver Mikse, Sivaraman Dandapani, Kwok Wong, Nicola Tolliday, Benito Munoz, Michelle Palmer, Heidi Greulich, Matthew L. Meyerson, and Stuart L. Schreiber.
    Received: December 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of the First CNS penetrant M5 Positive Allosteric Modulator (PAM) Based on a Novel, non-Isatin Core
    Patrick R. Gentry, Masaya Kokubo, Thomas M. Bridges, J. Scott Daniels, Colleen M. Niswender, Emery Smith, Peter Chase, Peter S. Hodder, Hugh Rosen, P. Jeffrey Conn, Julie Engers, Katrina A. Brewer, Craig W. Lindsley, and Michael R. Wood.
    Received: December 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of a Novel, Orthosteric M5 Antagonist Possessing a High Degree of Muscarinic Subtype Selectivity
    Patrick R. Gentry, Masaya Kokubo, Thomas M. Bridges, J. Scott Daniels, Colleen M. Niswender, Emery Smith, Peter Chase, Peter S. Hodder, Hugh Rosen, P. Jeffrey Conn, Julie Engers, Katrina A. Brewer, Michael R. Wood, and Craig W. Lindsley.
    Received: December 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery and characterization of a small molecule allosteric agonist of MrgX1
    Wandong Wen, Yan Wang, Owen McManus, Meng Wu, Min Li, Craig W. Lindsley, Xinzhong Dong, and Corey R. Hopkins.
    Received: December 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of two small molecule inhibitors, ML387 and ML388, of human NAD⁺-dependent 15-hydroxyprostaglandin dehydrogenase
    Damien Y. Duveau, Adam Yasgar, Xin Hu, Jennifer Kouznetsova, Kyle R. Brimacombe, Edward H. Kerns, Lesley Mathews, Xiaohu Zhang, Hongmao Sun, Marc Ferrer, Ajit Jadhav, Anton Simeonov, Craig J. Thomas, and David J. Maloney.
    Received: December 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and characterization of an antagonist for vasopressin 1a (V1a) receptor
    Gopi Mittapalli, Lusine Abgaryan, Steven J Brown, S Adrian Saldanha, Claude-Henry Volmar, Jill Ferguson, Edward Roberts, Peter Hodder, and Hugh Rosen.
    Received: December 11, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovering Small Molecules that Overcome Differentiation Arrest in Acute Myeloid Leukemia
    David B. Sykes, Mark K. Haynes, Anna Waller, Matthew Garcia, Oleg Ursu, Kristine E. Gouveia, Larry Sklar, Timothy A. Lewis, Sivaraman Dandapani, Benito Munoz, David T. Scadden, Michelle Palmer, and Stuart L. Schreiber.
    Received: December 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Inhibitors of the Plasmodium falciparum M17 Leucine Aminopeptidase
    Frank J. Schoenen, David Whipple, Pierre Baillargeon, Christopher L. Brown, Peter Chase, Jill Ferguson, Virneliz Fernandez-Vega, Peter Hodder, Rency Mathew, Benjamin Neuenswander, Patrick Porubsky, Steven Rogers, Tina Skinner-Adams, Melinda Sosa, Timothy Spicer, Joyce To, Nichole A. Tower, Katharine R. Trenholme, Jenna Wang, Warren S. Weiner, Jeffrey Aubé, Hugh Rosen, E. Lucile White, Donald L. Gardiner, and John P. Dalton.
    Received: December 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • A Next generation PLD2 inhibitor with improved physiochemical properties and DMPK profile for translational in vivo
    Matthew C. O'Reilly, Sarah A. Scott, J. Scott Daniels, Ryan Morrison, Julie L. Engers, Thomas Oguin, Paul Thomas, H. Alex Brown, and Craig W. Lindsley.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • The discovery and characterization of a centrally penetrant (ML396) and a peripherally restricted (ML397) pan-Group III mGlu positive allosteric modulators
    Nidhi Jalan-Sakrikar, Julie Roper-Field, Rebecca Klar, Margrith Mattman, Adam G. Walker, Rocio Zamorano, Zixiu Xiang, C. Frank Byers, Anna L. Blobaum, Darren Engers, C. David Weaver, Emily Days, Thomas J. Utley, Bruce Melancon, J. Scott Daniels, Michael R. Wood, Craig W. Lindsley, P. Jeffrey Conn, Corey R. Hopkins, and Colleen M. Niswender.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structures & Characteristics
    • Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery and characterization of ML398, a potent and selective chiral morpholine based antagonist of the dopamine 4 (D₄) receptor
    Cynthia B. Berry, Charles W. Locuson, J. Scott Daniels, Craig W. Lindsley, and Corey R. Hopkins.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Progress towards small molecule inhibitors of the Menin-Mixed Lineage Leukemia (MLL) interaction with in vivo utility
    Timothy Senter, Rocco Gogliotti, Changho Han, Charles W. Locuson, II, Ryan Morrison, J. Scott Daniels, Tomasz Cierpicki, Jolanta Grembecka, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: April 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Allosteric Small Molecule Inhibitors of LMPTP
    Robert J. Ardecky, Michael P. Hedrick, Stephanie M. Stanford, Matthew R. Bliss, Jiwen Zou, Palak Gosalia, Fusayo Yamamoto, Monika Milewski, Nikki Barron, Qing Sun, Santhi Ganji, Alka Mehta, Elliot Sugarman, Kevin Nguyen, Stefan Vasile, Eigo Suyama, Arianna Mangravita-Novo, Sumeet Salaniwal, Paul Kung, Layton H. Smith, Eduard Sergienko, Thomas D.Y. Chung, Anthony B. Pinkerton, and Nunzio Bottini.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Functional Antagonists of EBI-2
    Robert Ardecky, Eduard Sergienko, Jiwen Zou, Santhi Ganji, Brock Brown, Qing Sun, Chen-Ting Ma, Becky Hood, Kevin Nguyen, Stefan Vasile, Eigo Suyama, Arianna Mangravita-Novo, Sumeet Salaniwal, Paul Kung, Layton H. Smith, Thomas D.Y. Chung, Michael R. Jackson, Anthony B. Pinkerton, and Robert Rickert.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Small Molecules Targeting the Mitochondrial Permeability Transition
    Justina Sileikyte, Sudeshna Roy, Patrick Porubsky, Benjamin Neuenswander, Jenna Wang, Michael Hedrick, Anthony B. Pinkerton, Sumeet Salaniwal, Paul Kung, Arianna Mangravita-Novo, Layton H. Smith, Dennis N. Bourdette, Michael R. Jackson, Jeffrey Aubé, Thomas D. Y. Chung, Frank J. Schoenen, Michael A. Forte, and Paolo Bernardi.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Analytical Characterization Data for the Probe
    • Appendix D. Experimental Procedures for Physiochemcial and In Vitro Pharmacokinetic Property Assays
    • Appendix E. Compounds Provided to Evotec
    • Appendix F. Experimental Procedures for the Synthesis of Probe ML404
    • Appendix G. Eurofins Panlabs LeadProfilingScreen Report for ML404
    • Appendix H. Prior Art Search
  • Discovery of small molecule probe that shows anti-tubercular activity via Mtb bioA (DAPA synthase) enzyme inhibition
    Dominick Casalena, Partha P. Nag, SaeWoong Park, Daniel Wilson, Rahul Edwankar, Stephen Johnston, Hanh Le, Roger Schilling, Joshua A. Bittker, Sivaraman Dandapani, Benito Munoz, Ran Dai, Barry C. Finzel, Dirk Schnappinger, Courtney Aldrich, Stuart L. Schreiber, and Michelle Palmer.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for the scientific use of the probes
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery and Evaluation of Fungicidal Anti-Cryptococcal Molecules
    Cathy L. Hartland, Jun Pu, Damian Krysan, Louis Didone, Philip Nolan Moquist, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, and Stuart Schreiber.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a chemically validated target in replicating and non-replicating Mycobacterium tuberculosis with the aid of a small molecule probe
    Partha P. Nag, Sarah Schmidt Grant, Timothy A. Lewis, Katie Gordon, Tomohiko Kawate, Michael Fitzgerald, Ray Nietupski, James Gomez, E. Lucile White, Clinton Maddox, Ntsang Miranda Nebane, Nichole A. Tower, Sara McKellip, Melinda Sosa, Lynn Rasmussen, Stephen Johnston, Joshua A. Bittker, Sivaraman Dandapani, José Perez, Benito Munoz, Michelle Palmer, Stuart L. Schreiber, and Deborah T. Hung.
    Received: April 15, 2014; Last Update: January 16, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • Mammalian Cytotoxicity Assay Panel
    • 3. Results
    • 4. Discussion
    • 5. References
• Year 5 Reports
  • Discovery of ML370, an inhibitor of Vibrio cholerae Quorum Sensing Acting via the LuxO response regulator
    Patrick Faloon, Warren S. Weiner, Daljit S. Matharu, Benjamin Neuenswander, Patrick Porubsky, Willmen Youngsaye, Melissa Bennion, Wai-Leung Ng, Amanda Hurley, Carrie M. Mosher, Stephen Johnston, Sivaraman Dandapani, Frank J. Schoenen, Jeffrey Aubé, Benito Munoz, Michelle Palmer, Bonnie L. Bassler, and Stuart L. Schreiber.
    Received: April 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of these probes
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of Probe ML370
    • Appendix D. Experimental Procedure for Additional Analytical Assays
    • Appendix E. Chemical Characterization Data for the Probe
    • Appendix F. Chemical Characterization Data for All Analogs
    • Appendix G. Prior Art Search
    • Appendix H. Eurofins Panlabs LeadProfiling Screen Report for ML370
    • Appendix I. Merck Millipore Kinase Report for ML370
    • Appendix J. Compounds submitted to Evotec
  • Inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase
    Frank J. Schoenen, Warren S. Weiner, Pierre Baillargeon, Christopher L. Brown, Peter Chase, Jill Ferguson, Virneliz Fernandez-Vega, Partha Ghosh, Peter Hodder, Jeffrey P. Krise, Daljit S. Matharu, Benjamin Neuenswander, Patrick Porubsky, Steven Rogers, Tina Skinner-Adams, Melinda Sosa, Timothy Spicer, Joyce To, Nichole A. Tower, Katharine R. Trenholme, Jenna Wang, David Whipple, Jeffrey Aubé, Hugh Rosen, E. Lucile White, John P. Dalton, and Donald L. Gardiner.
    Received: April 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • Probe Chemical Structure and Properties
    • Aqueous Solubility
    • Aqueous Stability & Thiol Stability
    • Submission of the Probe and Analogues to the NIH MLSMR
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probe and Analogues
    • Appendix D. Experimental Procedure for Analytical Assays
    • Appendix E. Chemical Characterization Data for the Probe
    • Appendix F. Chemical Characterization Data for All analogs
    • Appendix G. Prior Art Search
    • Appendix H. Eurofins Panlabs LeadProfilingScreen Report for ML369
    • Appendix I. Compounds Provided to Evotec
    • Appendix J. Profiling for the Probe ML369 and Supporting Analogues
  • ML368 Identification of Imidazopyridines as Selective Inhibitors of the Cytochrome P450 Enzyme CYP3A4
    Michael Cameron, Ted Kamenecka, Franck Madoux, Peter Chase, William Roush, Peter Hodder, and Patrick R. Griffin.
    Received: April 15, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML367, inhibitor of ATAD5 stabilization
    Jason M. Rohde, Ganesha Rai, Yong Jun Choi, Srilatha Sakamuru, Jennifer T. Fox, Ruili Huang, Menghang Xia, Kyungjae Myung, Matthew B. Boxer, and David J. Maloney.
    Received: April 15, 2013; Last Update: November 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML366, an inhibitor of Vibrio cholerae Quorum Sensing Acting via the LuxO response regulator
    Patrick Faloon, Ivan Jewett, Willmen Youngsaye, Melissa Bennion, Wai-Leung Ng, Amanda Hurley, Timothy A. Lewis, Rahul V. Edwankar, Hanh Le, Carrie M. Mosher, Stephen Johnston, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Bonnie L. Bassler, and Stuart L. Schreiber.
    Received: April 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of these probes
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of Probe ML366
    • Appendix D. Experimental Procedure for Additional Analytical Assays
    • Appendix E. Chemical Characterization Data of Probe
    • Appendix F. Prior Art Search
    • Appendix G. Chemical Characterization Data for All Analogs of ML366
    • Appendix H. Compound Profiling Results
    • Appendix I. Alignment of LuxO Homologs in other pathogenic Vibrio species
    • Appendix J. Compounds Provided to Evotec
  • ML365: Development of Bis-Amides as Selective Inhibitors of the KCNK3/TASK1 Two Pore Potassium Channel
    Beiyan Zou, Daniel P. Flaherty, Denise S. Simpson, Brooks E. Maki, Melissa R. Miller, Jie Shi, Meng Wu, Owen B. McManus, Jennifer E. Golden, Jeffrey Aubé, and Min Li.
    Received: April 15, 2013; Last Update: November 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendix
  • ML360, A Potent Inhibitor of Lipid Droplet Formation
    Li Liu, Ya-Qin Zhang, Kirsten Tschapalda, Zhuyin Li, Min Shen, Mathias Beller, and Matthew B. Boxer.
    Received: April 15, 2013; Last Update: November 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of ML359 as a Small Molecule Inhibitor of Protein Disulfide Isomerase
    Carol Khodier, Lynn VerPlank, Partha P. Nag, Jun Pu, Jacqueline Wurst, Tatiana Pilyugina, Chris Dockendorff, Christine N. Galinski, Alissa A. Scalise, Freda Passam, Lotte van Hessem, James Dilks, Daniel R. Kennedy, Robert Flaumenhaft, Michelle A. J. Palmer, Sivaraman Dandapani, Benito Munoz, and Stuart L. Schrieber.
    Received: April 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probe
    • Appendix D. Experimental Procedure for Analytical Assays
    • Appendix E. Chemical Characterization Data for Probe
    • Appendix F. Chemical Characterization Data for All Analogs
    • Appendix G. Compounds Provided to Evotec
  • A high throughput screen for inhibitors of nematode detoxification genes
    Satyamaheshwar Peddibhotla, Chi K. Leung, Patrick Maloney, Paul M. Hershberger, Kevin Nguyen, Stefan Vasile, Eigo Suyama, Ada Kane, Michelle S. Bousquet, Hendrick Leusch, Derek Stonich, Arianna Mangravita-Novo, Sumeet Salaniwal, Paul Kung, Jena Diwan, Layton H. Smith, Thomas D.Y. Chung, Anthony B. Pinkerton, Siobhan Malany, and Keith Choe.
    Received: April 11, 2013; Last Update: January 13, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Selective inhibitors of FAS-TE
    Robert Ardecky, Michael P. Hedrick, Palak Gosalia, Fusayo Yamamoto, Monika Milewski, Nikki Barron, Qing Sun, Jiwen Zhou, Santhi Ganji, Alka Mehta, Elliot Sugarman, Kevin Nguyen, Stefan Vasile, Eigo Suyama, Peter Teriete, Douglas Sheffler, Pooi San Lee, Margrith Mattmann, Jessica De Ingeniis, Derek Stonich, Arianna Mangravita-Novo, Sumeet Salaniwal, Paul Kung, Jena Diwan, Layton H. Smith, Eduard Sergienko, Thomas D.Y. Chung, Anthony B. Pinkerton, Nicholas D. P. Cosford, and Jeffrey W. Smith.
    Received: April 12, 2013; Last Update: January 13, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML355, a Potent and Selective Inhibitor of Human 12-Lipoxygenase
    Diane Luci, J. Brian Jameson, II, Adam Yasgar, Giovanni Diaz, Netra Joshi, Auric Kantz, Kate Markham, Steve Perry, Norine Kuhn, Jennifer Yeung, Lena Schultz, Michael Holinstat, Jerry Nadler, David A. Taylor-Fishwick, Ajit Jadhav, Anton Simeonov, Theodore R. Holman, and David J. Maloney.
    Received: April 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • A Novel and Selective PAR4 Antagonist: ML354
    Summer E. Young, Matthew T. Duvernay, Michael L. Schulte, Kellie D. Nance, Bruce J. Melancon, Julie Engers, Michael R. Wood, Heidi E. Hamm, and Craig W. Lindsley.
    Received: April 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a high affinity MPEP-site silent allosteric modulator (SAM) for the metabotropic glutamate subtype 5 receptor (mGlu₅)
    Karen J. Gregory, Chrysa Malosh, Mark Turlington, Ryan Morrison, Paige Vinson, J. Scott Daniels, Carrie Jones, Colleen M. Niswender, P. Jeffrey Conn, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: April 15, 2013; Last Update: February 11, 2015.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML351, a Potent and Selective Inhibitor of Human 15-Lipoxygenase-1
    Ganesha Rai, Netra Joshi, Steve Perry, Adam Yasgar, Lena Schultz, Jog Eun Jung, Yu Liu, Yasukazu Terasaki, Giovanni Diaz, Victor Kenyon, Ajit Jadhav, Anton Simeonov, Klaus van Leyen, Theodore R. Holman, and David J. Maloney.
    Received: April 15, 2013; Last Update: January 13, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and characterization of an opioid kappa receptor (OPRK1) antagonist
    Miguel Guerrero, Mariagela Urbano, Steven J Brown, Charmagne Cayanan, Jill Ferguson, Michael Cameron, Lakshmi A. Devi, Ed Roberts, and Hugh Rosen.
    Received: April 15, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Characterization of a Selective, Reversible Inhibitor of Lysophospholipase 2 (LYPLA2)
    Alexander Adibekian, Brent R Martin, Jae Won Chang, Ku-Lung Hsu, Katsunori Tsuboi, Daniel A Bachovchin, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: April 8, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplemental Information for ML349 Probe Report
  • Characterization of a Selective, Reversible Inhibitor of Lysophospholipase 1 (LYPLA1)
    Alexander Adibekian, Brent R Martin, Jae Won Chang, Ku-Lung Hsu, Katsunori Tsuboi, Daniel A Bachovchin, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: April 8, 2013; Last Update: January 13, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of a potent and ALK2 selective bone morphogenetic protein receptor (BMP) inhibitor
    Darren W. Engers, Audrey Y. Frist, Craig W. Lindsley, Charles H. Hong, and Corey R. Hopkins.
    Received: April 12, 2013; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML346: A Novel Modulator of Proteostasis for Protein Conformational Diseases
    Barbara Calamini, Maria Catarina Silva, Franck Madoux, Darren M. Hutt, Shilpi Khanna, Monica A. Chalfant, Christophe Allais, Souad Ouizem, Sanjay A. Saldanha, Jill Ferguson, Becky A. Mercer, Cameron Michael, Bradley D. Tait, Dan Garza, William E. Balch, William R. Roush, Richard I. Morimoto, and Peter Hodder.
    Received: December 17, 2012; Last Update: April 5, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML345, A Small-Molecule Inhibitor of the Insulin-Degrading Enzyme (IDE)
    TD Bannister, H Wang, SO Abdul-Hay, A Masson, F Madoux, J Ferguson, BA Mercer, S Schurer, A Zuhl, BF Cravatt, MA Leissring, and P Hodder.
    Received: December 17, 2012; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of Two, Structurally Distinct Agonists of Vibrio cholerae Quorum Sensing Acting via the CqsS Membrane Receptor
    Patrick Faloon, Willmen Youngsaye, Melissa Bennion, Wai-Leung Ng, Amanda Hurley, Timothy A. Lewis, Rahul V. Edwankar, Evan Yao, Jun Pu, Partha P. Nag, Jacqueline M. Wurst, Melissa Bennion, Hanh Le, Carrie M. Mosher, Stephen Johnston, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Bonnie L. Bassler, and Stuart L. Schreiber.
    Received: December 14, 2012; Last Update: September 3, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for the Scientific Use of these Probes
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Inhibitors of FAP-fluorogen interaction as a multiplex assay tool compound for receptor internalization assays
    Yang Wu, Philip H. Tapia, Kristine Gouveia, Larry A. Sklar, Gregory W Fisher, Alan S. Waggoner, Jonathan W. Jarvik, Alison R. Gregro, Mike Poslusney, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: December 14, 2012; Last Update: March 22, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of Diversity-Oriented Synthesis Derived Small Molecule, ML341, with Cidal Activity Against Trypanosoma cruzi
    Leigh C. Carmody, Andrew R. Germain, Juan C. Engel, Jiri Gut, Marcel Kaiser, Ivan Jewett, Sebastian LeQuemen, Jean-Charles Marie, Sivaraman Dandapani, Ana Rodriguez, Jose R. Perez, James H. McKerrow, Michelle A. J. Palmer, Benito Munoz, and Stuart L. Schrieber.
    Received: December 17, 2012; Last Update: November 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Small-molecule antagonists of Gli function
    Robert Ardecky, Gavin K. Magnuson, Jiwen Zou, Santhi R. Ganji, Brock Brown, Tram Ngo, Julia Lee, Fu-Yue Zeng, Qing Sun, Derek Stonich, Sumeet Salaniwal, Tomoyo Sakata, Paul G. Rack, Jennifer K. T. Casabar, Arianna Mangravita-Novo, Layton H. Smith, Eduard Sergienko, Thomas D.Y. Chung, Anthony B. Pinkerton, Ian Pass, and James K. Chen.
    Received: December 17, 2012; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplementary Information
  • Probing the CXCR6/CXCL16 Axis: Targeting Prevention of Prostate Cancer Metastasis
    Paul M. Hershberger, Satyamaheshwar Peddibhotla, Eliot Sugarman, Patrick Maloney, Danielle Key, Eigo Suyama, Kevin Nguyen, Stefan Vasile, Martha Kraft, Derek Stonich, Arianna Mangravita-Novo, Michael Vicchiarelli, Palak Gosalia, Monica Milewski, Linda Li, Michael Hedrick, Qing Sun, Eduard Sergienko, Anton Cheltsov, Sumeet Salanawil, Jena Diwan, Layton H. Smith, Russell S. Taichman, Thomas D.Y. Chung, Anthony B. Pinkerton, Siobhan Malany, and Gregory P. Roth.
    Received: December 15, 2012; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplementary Information
  • Elucidation of the physiology of non-replicating, drug tolerant Mycobacterium tuberculosis with the aid of the small molecule probe ML338
    Partha P. Nag, Sarah Schmidt Grant, Timothy A. Lewis, Katie Gordon, Tomohiko Kawate, Noriaki Iwase, E. Lucile White, Clinton Maddox, Ntsang Miranda Nebane, Nichole A. Tower, Sara McKellip, Melinda I. Sosa, Lynn Rasmussen, Carrie M. Mosher, Travis Anthoine, Stephen Johnston, Sivaraman Dandapani, José Perez, Benito Munoz, Michelle Palmer, Stuart L. Schreiber, and Deborah T. Hung.
    Received: December 17, 2012; Last Update: September 16, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for the Scientific Use of this Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of a Second Generation mGlu₃ NAM Probe
    Cody Wenthur, J. Scott Daniels, Ryan Morrison, Julie L. Engers, Colleen M. Niswender, P. Jeffrey Conn, and Craig W. Lindsley.
    Received: December 10, 2012; Last Update: March 22, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML336: Development of Quinazolinone-Based Inhibitors Against Venezuelan Equine Encephalitis Virus (VEEV)
    Donghoon Chung, Chad E. Schroeder, Julie Sotsky, Tuanli Yao, Sudeshna Roy, Robert A. Smith, Nichole A. Tower, James W. Noah, Sara McKellip, Melinda Sosa, Lynn Rasmussen, E. Lucile White, Jeffrey Aubé, and Jennifer E. Golden.
    Received: December 17, 2012; Last Update: November 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix
  • Characterization of an agonist probe for opioid receptor mu 1 (OPRM1)-opioid receptor delta 1 (OPRD1) heterodimerization
    Christie Pinello, Miguel Guerrero, Christina Eberhart, Claude-Henry Volmar, Sanjay A. Saldanha, Charmagne Cayanan, Mariagela Urbano, Steven J Brown, Jill Ferguson, Ivone Gomes, Lakshmi A. Devi, Edward Roberts, Peter Hodder, and Hugh Rosen.
    Received: December 17, 2012; Last Update: April 5, 2013.
    • Probe Structure and Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • The identification and characterization of non-reactive inhibitor of Keap1-Nrf2 interaction through HTS using a fluorescence polarization assay
    Lili Wang, Timothy Lewis, Yan-Ling Zhang, Carol Khodier, Sadagopan Magesh, Lin Chen, Daigo Inoyama, Yu Chen, Jing Zhen, Longqin Hu, Lesa J. Beamer, Patrick W. Faloon, Sivaraman Dandapani, Jose R. Perez, Benito Munoz, Michelle Palmer, and Stuart Schreiber.
    Received: December 17, 2012; Last Update: September 16, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • N-(pyridin-4-yl)benzo[d]thiazole-6-carboxamide inhibits E. coli UT189 bacterial capsule biogenesis
    James W. Noah, Subramaniam Ananthan, Carrie W. Evans, N. Miranda Nebane, Lynn Rasmussen, Melinda Sosa, Nichole A. Tower, E. Lucile White, Patrick Seed, Carlos Goller, Mehreen Arshad, Apurba Datta, Benjamin Neuenswander, Patrick Porubsky, Brooks E. Maki, Chunjing Liu, Steven A. Rogers, Frank Schoenen, and Jeffrey Aubé.
    Received: December 17, 2012; Last Update: April 5, 2013.
    • Resulting Publications
    • Probe Structure and Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Detailed Assay Descriptions
    • Appendix B. Structure Verification and Purity: ¹H NMR, ¹³C NMR, RP HPLC/UV/HRMS Spectra for the Probe Compound
    • Appendix C. Analytical Characterization Data for the Five Supporting Analogues
    • Appendix D. Ricerca LeadProfiling Report for ML333
  • Identification of a glycine sulfonamide based non-MPEP site positive allosteric potentiator (PAM) of mGlu₅
    Alice L. Rodriguez, James C. Tarr, Ya Zhou, Richard Williams, Karen J. Gregory, Thomas M. Bridges, J. Scott Daniels, Colleen M. Niswender, P. Jeffrey Conn, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: December 17, 2012; Last Update: March 22, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Cardioprotective inhibitors of reperfusion injury
    Ada Kane, Satyamaheshwar Peddibhotla, Patrick Maloney, Alka Mehta, Becky Hood, Eigo Suyama, Kevin Nguyen, Stefan Vasile, Laurel Leavitt, Anton Cheltsov, Sumeet Salaiwal, Derek Stonich, Arianna Mangravita-Novo, Michael Vicchiarelli, Layton H. Smith, Jena Diwan, Thomas D.Y. Chung, Anthony B. Pinkerton, Paul Hershberger, Siobhan Malany, and Richard N. Kitsis.
    Received: December 10, 2012; Last Update: March 22, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • A Small Molecule Inhibitor of the MITF Molecular Pathway
    Patrick W. Faloon, Melissa Bennion, Warren S. Weiner, Robert A. Smith, Jacqueline Wurst, Michel Weiwer, Cathy Hartland, Carrie M. Mosher, Stephen Johnston, Patrick Porubsky, Benjamin Neuenswander, Sivaraman Dandapani, Benito Munoz, Frank J. Schoenen, Shailesh Metkar, Rizwan Haq, David E. Fisher, Jeffrey Aubé, Michelle Palmer, and Stuart L. Schreiber.
    Received: December 13, 2012; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probe
    • Appendix D. Experimental Procedure for Analytical Assays
    • Appendix E. Chemical Characterization Data for Probe
    • Appendix F. Chemical Characterization Data for All Analogs
    • Appendix G. Prior Art Search
    • Appendix H. Eurofins Panlabs LeadProfiling Screen Report for ML329
    • Appendix I. Primary melanocyte viability assay data
    • Appendix J. Compounds Provided to Evotec
  • ML328: A Novel Dual Inhibitor of Bacterial AddAB and RecBCD Helicase-nuclease DNA Repair Enzymes
    TD Bannister, R Nair, T Spicer, V Fernandez Vega, C Eberhart, BA Mercer, M Cameron, S Schurer, SK Amundsen, A Karabulut, LM Londoño, GR Smith, and P Hodder.
    Received: December 17, 2012; Last Update: April 5, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML323 as a Novel Inhibitor of the USP1/UAF1 Deubiquitinase Complex
    Thomas S. Dexheimer, Andrew S. Rosenthal, Qin Liang, Junjun Chen, Mark A. Villamil, Edward H. Kerns, Anton Simeonov, Ajit Jadhav, Zhihao Zhuang, and David J. Maloney.
    Received: October 23, 2012; Last Update: September 18, 2014.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery and characterization of a small molecule that restores E-cadherin expression in cancer cell lines via a new mechanism
    Sydney L. Stoops, Alex G. Waterson, Hanbing An, Natasha Deane, J. Scott Daniels, Ryan Morrison, Julie L. Engers, Daniel Beauchamp, and Craig W. Lindsley.
    Received: December 13, 2012; Last Update: March 22, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development and characterization of a highly selective M5 PAM probe molecule with improved potency
    Patrick R. Gentry, Thomas M. Bridges, J. Scott Daniels, Atin Lamsal, Paige N. Vinson, Colleen M. Niswender, Peter S. Hodder, Hugh Rosen, P. Jeffrey Conn, Julie Engers, Craig W. Lindsley, and Michael R. Wood.
    Received: December 13, 2012; Last Update: March 22, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and characterization of a pan protein arginine deiminase (PAD) inhibitor
    Christina J Dreyton, Justin E. Jones, Bryan A. Knuckley, Venkatamaran Subramanian, Erin D Anderson, Steven J Brown, Virneliz Fernandez-Vega, Christina Eberhart, Timothy Spicer, Andrea M Zuhl, Jill Ferguson, Anna E Speers, Chu Wang, Dale L Boger, Paul Thompson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: December 17, 2012; Last Update: April 5, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity
    Ganesha Rai, Akane Kawamura, Anthony Tumber, Yu Liang, Jodi L. Vogel, Jesse H. Arbuckle, Nathan R. Rose, Thomas S. Dexheimer, Timothy L. Foley, Oliver N. King, Amy Quinn, Bryan T. Mott, Christopher J. Schofield, Udo Oppermann, Ajit Jadhav, Anton Simeonov, Thomas M. Kristie, and David J. Maloney.
    Received: December 17, 2012; Last Update: September 16, 2013.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendix
  • ML322, A Small Molecule Inhibitor of Dimerization of the Core Protein of Hepatitis C Virus (HCV)
    Smitha Kota, Franck Madoux, Peter Chase, Virginia Takahashi, Qin Liu, Becky A. Mercer, Michael Cameron, A. Donny Strosberg, William Roush, and Peter Hodder.
    Received: December 17, 2012; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery, optimization, and characterization of a novel series of dopamine D₂ versus D₃ receptor selective antagonists
    Jingbo Xiao, R. Benjamin Free, Elena Barnaeva, Jennie Conroy, Trevor Doyle, Marthe Bryant-Genevier, Mercedes K. Taylor, Noel Southall, Xin Hu, Marc Ferrer, Steve Titus, Wei Zheng, David R. Sibley, and Juan J. Marugan.
    Received: December 25, 2012; Last Update: September 3, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
• Year 4 Reports
  • Discovery of Potent and Highly Selective Inhibitors of GSK3b
    W. Frank An, Andrew R. Germain, Joshua A. Bishop, Partha P. Nag, Shailesh Metkar, Joshua Ketterman, Michelle Walk, Michel Weiwer, Xiulin Liu, Debasis Patnaik, Yan-Ling Zhang, Jennifer Gale, Wendy Zhao, Taner Kaya, Doug Barker, Florence F. Wagner, Ed B. Holson, Sivaraman Dandapani, Jose Perez, Benito Munoz, Michelle Palmer, Jen Q. Pan, Stephen J. Haggarty, and Stuart L. Schreiber.
    Received: April 16, 2012; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probe
    • Appendix D. Experimental Procedures for Analytical Assays
    • Appendix E. Chemical Characterization Data for Probe and Analogs
    • Appendix G. Compounds Provided to Evotec
  • Identification of a small molecule inhibitor of Pseudomonas aeruginosa PvdQ acylase, an enzyme involved in siderophore pyoverdine synthesis
    Jimmy R. Theriault, Jacqueline Wurst, Ivan Jewett, Lynn Verplank, Jose R. Perez, Andrew M. Gulick, Eric J. Drake, Michelle Palmer, Sam Moskowitz, Nandini Dasgupta, Mark K. Brannon, Sivaraman Dandapani, Ben Munoz, and Stuart Schreiber.
    Received: April 16, 2012; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • 3-(2,6-difluorobenzamido)-5-(4-ethoxyphenyl) thiophene-2-carboxylic acid inhibits E.coli UT189 bacterial capsule biogenesis
    James W. Noah, Subramaniam Ananthan, Carrie W. Evans, N. Miranda Nebane, Lynn Rasmussen, Melinda Sosa, Nichole A. Tower, E. Lucile White, Patrick Seed, Carlos Goller, Apurba Datta, Benjamin Neuenswander, Patrick Porubsky, Brooks E. Maki, Steven A. Rogers, Frank Schoenen, and Jeffrey Aubé.
    Received: April 16, 2012; Last Update: March 14, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Probing Metabolic Requirements for Fungal Virulence — Probe 1
    Cathy L Hartland, Willmen Youngsaye, Jun Pu, Benjamin Vincent, Carrie M. Mosher, Travis Anthoine, Stephen Johnston, Luke Whitesell, Sivaraman Dandapani, José Perez, Benito Munoz, Michelle Palmer, Susan Lindquist, and Stuart L. Schreiber.
    Received: April 16, 2012; Last Update: May 14, 2014.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocol
    • Appendix C. Experimental Procedures for the Synthesis of the Probe
    • Appendix D. Experimental Procedure for Additional Analytical Assays
    • Appendix E. Chemical Characterization Data of Probe
    • Appendix F. Prior Art Search
    • Appendix G. Chemical Characterization Data for All Analogs
    • Appendix H. Compounds Provided to Evotec
  • Identification of selective inhibitors of cdc2-like kinases 1 and 4 (Clk1, Clk4)
    Thomas C. Coombs, Cordelle Tanega, Min Shen, Benjamin Neuenswander, Patrick Porubsky, Jenna L. Wang, Tom Misteli, Douglas S. Auld, Frank Schoenen, Craig J. Thomas, and Jeffrey Aubé.
    Received: April 16, 2012; Last Update: May 8, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Small Molecule Agonists for the Neurotensin 1 Receptor (NTR1 Agonists)
    Paul Hershberger, Michael Hedrick, Satyamaheshwar Peddibhotla, Patrick Maloney, Yujie Li, Monika Milewski, Palak Gosalia, Wilson Gray, Alka Mehta, Eliot Sugarman, Becky Hood, Eigo Suyama, Kevin Nguyen, Susanne Heynen-Genel, Stefan Vasile, Sumeet Salaniwal, Derek Stonich, Ying Su, Arianna Mangravita-Novo, Michael Vicchiarelli, Layton H. Smith, Gregory Roth, Jena Diwan, Thomas D.Y. Chung, Marc G. Caron, James B. Thomas, Anthony B. Pinkerton, and Lawrence R. Barak.
    Received: April 8, 2012; Last Update: March 7, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • A Small Molecule Inhibitor of Scavenger Receptor BI-mediated Lipid Uptake - Probe 3
    Patrick W. Faloon, Chris Dockendorff, Miao Yu, Melissa Bennion, Stephen Johnston, Joseph Negri, Sivaraman Dandapani, Benito Munoz, Jose R. Perez, Michelle Palmer, Marsha Penman, Thomas J.F. Nieland, Monty Krieger, and Stuart L. Schreiber.
    Received: April 16, 2012; Last Update: March 14, 2013.
    • Probe Structure and Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML311: A Small Molecule that Potently and Selectively Disrupts the Protein-Protein Interaction of Mcl-1 and Bim: A Probe for Studying Lymphoid Tumorigenesis
    Thomas Bannister, Marcel Koenig, Yuanjun He, Jitendra Mishra, Tim Spicer, Dmitriy Minond, Adrian Saldanha, Becky A. Mercer, Michael Cameron, Ryan Lena, Nicole Carlson, David Richard, Michael Cardone, and Peter Hodder.
    Received: April 16, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a novel selective inverse agonist probe and analogs for the Retinoic acid receptor-related Orphan Receptor Gamma (RORγ)
    Naresh Kumar, Theodore Kamenecka, Brent Lyda, Pasha Khan, Mi Ra Chang, Ruben D. Garcia-Ordonez, Michael Cameron, Jill Ferguson, Becky A. Mercer, Peter Hodder, Hugh Rosen, and Patrick R. Griffin.
    Received: April 16, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML309: A potent inhibitor of R132H mutant IDH1 capable of reducing 2-hydroxyglutarate production in U87 MG glioblastoma cells
    Mindy Davis, Rajan Pragani, Janeta Popovici-Muller, Stefan Gross, Natasha Thorne, Frank Salituro, Valeria Fantin, Kimberly Straley, Michael Su, Lenny Dang, Anton Simeonov, Min Shen, and Matthew B. Boxer.
    Received: April 16, 2012; Last Update: May 8, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix
  • Development of a Selective Chemical Inhibitor for the Two-Pore Potassium Channel, KCNK9
    Melissa R. Miller, Beiyan Zou, Jie Shi, Daniel P. Flaherty, Denise S. Simpson, Tuanli Yao, Brooks E. Maki, Victor W. Day, Justin T. Douglas, Meng Wu, Owen B. McManus, Jennifer E. Golden, Jeffrey Aubé, and Min Li.
    Received: April 16, 2012; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Selective UBC 13 Inhibitors
    Robert Ardecky, Charitha Madiraju, Shu-ichi Matsuzawa, Jiwen Zou, Santhi Ganji, Ian Pass, Tram A. Ngo, Anthony B. Pinkerton, Eduard Sergienko, Ying Su, Derek Stonich, Arianna Mangravita-Novo, Michael Vicchiarelli, Danielle McAnally, Layton H. Smith, Jena Diwan, Thomas D.Y. Chung, Yasuko Matsuzawa, Carina Wimer, Paul W. Diaz, and John C. Reed.
    Received: April 16, 2012; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplementary Information
  • Discovery of Novel General Anesthetics Using Apoferritin as a Surrogate System
    Ganesha Rai, Weiming Bu, Wendy A. Lea, David Liang, Brian Weiser, Vince Setola, Christopher P. Austin, Anton Simeonov, Ajit Jadhav, Roderic Eckenhoff, and David J. Maloney.
    Received: April 16, 2012; Last Update: May 8, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix
  • A 2nd Selective Inhibitor of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase (PfG6PDH) - Probe 2
    Patrick Maloney, Michael Hedrick, Satyamaheshwar Peddibhotla, Paul Hershberger, Monika Milewski, Palak Gosalia, Linda Li, Janina Preuss, Eliot Sugarman, Becky Hood, Eigo Suyama, Kevin Nguyen, Stefan Vasile, Eduard Sergienko, Sumeet Salanawil, Derek Stonich, Ying Su, Russell Dahl, Arianna Mangravita-Novo, Michael Vicchiarelli, Danielle McAnally, Layton H. Smith, Gregory Roth, Jena Diwan, Thomas D.Y. Chung, Anthony B. Pinkerton, Lars Bode, and Katja Becker.
    Received: March 28, 2012; Last Update: March 14, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix. Supplementary Information ¹H NMR and LC-MS spectra of ML304
  • Discovery of Small Molecule Influenza Virus NS1 Antagonist
    Samarjit Patnaik, Dipanwita Basu, Seameen Dehdashti, Wei Zheng, Marc Ferrer, Noel Southall, Mercedes Taylor, Daniel A. Engel, and Juan Jose Marugan.
    Received: April 13, 2012; Last Update: September 3, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML302, a Novel Beta-lactamase (BLA) Inhibitor
    T Spicer, D Minond, I Enogieru, SA Saldanha, C Allais, Qin Liu, BA Mercer, WR Roush, and P Hodder.
    Received: April 16, 2012; Last Update: May 13, 2014.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Non-covalent triazole-based inhibitors of the SARS main proteinase 3CLpro
    Mark Turlington, Aspen Chun, Jon Jacobs, Eric Dawson, J. Scott Daniels, Adrian Saldanha, Peter Chase, Peter Hodder, Aimee Eggler, Valerie Tokars, Andrew Mesecar, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: April 9, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of a Selective, Allosteric PLD1/2 Inhibitor in a Novel Scaffold
    Sarah A. Scott, Matthew C. O’Reilly, J. Scott Daniels, Ryan Morrison, Roger Ptak, Eric S. Dawson, Nichole Tower, Julie L. Engers, Darren W. Engers, Thomas Oguin, Paul Thomas, Lucille White, H. Alex Brown, and Craig W. Lindsley.
    Received: April 5, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of a Selective, Allosteric PLD2 Inhibitor
    Sarah A. Scott, Matthew C. O’Reilly, J. Scott Daniels, Ryan Morrison, Roger Ptak, Eric S. Dawson, Nichole Tower, Julie L. Engers, Darren W. Engers, Thomas Oguin, Paul Thomas, Lucille White, H. Alex Brown, and Craig W. Lindsley.
    Received: April 5, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery and Characterization of a Selective Activator of the G-Protein Activated Inward-Rectifying Potassium (GIRK) Channel
    Emily Days, Kristian Kaufmann, Ian Romaine, Colleen Niswender, Michelle Lewis, Thomas Utley, Yu Du, Gregory Sliwoski, Ryan Morrison, Eric S. Dawson, Julie L. Engers, Jerod Denton, J. Scott Daniels, Gary A. Sulikowski, Craig W. Lindsley, and C. David Weaver.
    Received: April 6, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and characterization of triazole urea inhibitors for abhydrolase domain containing protein 6 (ABHD6)
    Ku-Lung Hsu, Katsunori Tsuboi, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: April 12, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and characterization of a triazole urea inhibitor for diacylglycerol lipase beta (DAGL-β)
    Ku-Lung Hsu, Katsunori Tsuboi, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: April 16, 2012; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of a novel structural class of M4 positive allosteric modulators: Characterization of ML293, N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)isonicotinamide, with CNS exposure in rats
    James M. Salovich, Douglas J. Sheffler, Paige N. Vinson, Atin Lamsal, Thomas J. Utley, Anna L. Blobaum, Thomas M. Bridges, Uyen Le, Carrie K. Jones, Michael R. Wood, J. Scott Daniels, P. Jeffrey Conn, Julie Engers, Colleen M. Niswender, Craig W. Lindsley, and Corey R. Hopkins.
    Received: April 2, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Discussion
    • 4. Discussion
    • 5. References
  • Discovery of a novel metabotropic glutamate receptor 4 (mGlu₄) positive allosteric modulator (PAM) extended probe: Characterization of ML292, a potent and selective mGlu₄ PAM which produces efficacy alone or in combination with L-DOPA in preclinical rodent models of Parkinson's disease
    Darren W. Engers, Carrie K. Jones, Michael Bubser, Analisa D. Thompson, Anna L. Blobaum, Douglas J. Sheffler, Rocio Zamorano, Sheridan J. S. Carrington, Thomas M. Bridges, Ryan D. Morrison, J. Scott Daniels, P. Jeffrey Conn, Craig W. Lindsley, Colleen M. Niswender, and Corey R. Hopkins.
    Received: April 2, 2012; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Selective small molecule activator of the apoptotic arm of the UPR
    Daniel P. Flaherty, Jennifer E. Golden, Chunjing Liu, Michael Hedrick, Palak Gosalia, Yujie Li, Monika Milewski, Eliot Sugarman, Eigo Suyama, Kevin Nguyen, Stefan Vasile, Sumeet Salaniwal, Derek Stonich, Ying Su, Arianna Mangravita-Novo, Michael Vicchiarelli, Layton H. Smith, Jena Diwan, Thomas D.Y. Chung, Anthony B. Pinkerton, Jeffrey Aubé, Justin R. Miller, Danielle M. Garshott, Michael U. Callaghan, Andrew M. Fribley, and Randal J. Kaufman.
    Received: April 1, 2012; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • APPENDIX A. Quality Control Data for Probe ML291 (SID 123083137, CID 52940465)
    • APPENDIX B. Ricerca LeadProfiling® Report for ML291
    • Appendix C. NCI-60 panel profiling Report for ML291
  • Discovery, optimization, and biological activity of the first potent and selective small-molecule agonist series of human relaxin receptor 1 (RXFP1)
    Jingbo Xiao, Catherine Z. Chen, Zaohua Huang, Irina U. Agoulnik, Marc Ferrer, Noel Southall, Xin Hu, Wei Zheng, Alexander I. Agoulnik, and Juan J. Marugan.
    Received: March 10, 2012; Last Update: May 8, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix 1. Probe Characterization
    • Appendix 2. Analog Characterization
    • Appendix 3. Summary of in vivo pharmacokinetic (PK) data for ML290
    • Appendix 4. Summary of X-ray data for ML290
  • Development of the First Selective mGlu₃ NAM from an mGlu₅ PAM Hit
    Douglas J. Sheffler, Cody J. Wenthur, Joshua A. Brunner, J. Scott Daniels, Ryan D. Morrison, Anna L. Blobaum, Eric S. Dawson, Julie L. Engers, Colleen M. Niswender, P. Jeffrey Conn, and Craig W. Lindsley.
    Received: April 9, 2012; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML285 affects reactive oxygen species’ inhibition of pyruvate kinase M2
    Kyle R. Brimacombe, Dimitrios Anastasiou, Bum-Soo Hong, Wolfram Tempel, Svetoslav Dimov, Henrike Veith, Douglas S. Auld, Matthew G. Vander Heiden, Craig J. Thomas, Hee-Won Park, Min Shen, Lewis C. Cantley, and Matthew B. Boxer.
    Received: August 3, 2012; Last Update: May 8, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Hepatitis C Virus NS3 Helicase Inhibitor Discovery
    Kelin Li, Kevin J. Frankowski, Alicia M. Hanson, Jean Ndjomou, Matthew A. Shanahan, Sourav Mukherjee, Rajesh Kolli, William R. Shadrick, Noreena L. Sweeney, Craig A. Belon, Ben Neuenswander, Jill Ferguson, Jeffrey Aubé, Frank J. Schoenen, Brian S. J. Blagg, and David N. Frick.
    Received: December 16, 2011; Last Update: March 14, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • Acknowledgments
    • 5. References
    • Appendix A. Details for the Material and Methods for the assays listed in Table 3
    • Appendix B. NMR Data and LCMS Data for Probe Compound for Probe CID 50930730/ML283
    • Appendix C. Continuation of Section 2.3, Probe Preparation
    • Appendix D. Description of the outcome for the screen of 827 compounds from the NCI DTP compound collection
    • Appendix E. Results of SciFinder substructure searches for the ML283 chemotype
  • A small molecule pan-inhibitor of Ras-superfamily GTPases with high efficacy towards Rab7
    Lin Hong, Peter Simons, Anna Waller, Juan Strouse, Zurab Surviladze, Oleg Ursu, Cristian Bologa, Kristine Gouveia, Jacob O. Agola, Soumik BasuRay, Angela Wandinger-Ness, Larry Sklar, Denise S. Simpson, Chad E. Schroeder, Jennifer E. Golden, and Jeffrey Aubé.
    Received: December 16, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • APPENDIX. Ricerca Profiling Results for ML282
  • Screen for Inhibitors of STK33 Kinase Activity
    James Spoonamore, Michel Weïwer, Jianqiang Wei, Boris Guichard, Nathan T. Ross, Kristina Masson, Whitney Silkworth, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Christina Scherer, and Stuart L. Schreiber.
    Received: December 16, 2011; Last Update: May 13, 2014.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probes
    • Appendix D. Experimental Procedure for the synthesis of Amgen Compound 1
    • Appendix E. Experimental Procedure for Analytical Assays
    • Appendix F. Chemical Characterization Data for the Probes
    • Appendix G. Chemical Characterization Data for All Analogs
    • Appendix H. Prior Art Search
    • Appendix I. Compounds Provided to Evotec
  • A Small Molecule Inhibitor of Scavenger Receptor BI-mediated Lipid Uptake—Probe 2
    Patrick W. Faloon, Chris Dockendorff, Andrew Germain, Miao Yu, Partha Pratim Nag, Willmen Youngsaye, Melissa Bennion, Garrett Lam, Conor Paterson, Sivaraman Dandapani, Benito Munoz, Jose Perez, Michelle Palmer, Thomas J.F. Nieland, Monty Krieger, and Stuart L. Schreiber.
    Received: December 15, 2011; Last Update: September 18, 2014.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probes
    • Appendix D. Experimental Procedure for Additional Analytical Assays
    • Appendix E. Chemical Characterization Data for Probe 2
    • Appendix F. Prior Art Search
    • Appendix G. Compounds Provided to Evotec
    • Appendix H. Additional Analogs
    • Appendix I. Chemical Characterization Data for All Analogs
  • A Small Molecule Inhibitor of Scavenger Receptor BI-mediated Lipid Uptake—Probe 1
    Patrick W. Faloon, Chris Dockendorff, Willmen Youngsaye, Miao Yu, Partha Pratim Nag, Timothy A. Lewis, Melissa Bennion, Conor Paterson, Garrett Lam, Sivaraman Dandapani, Benito Munoz, Jose Perez, Michelle Palmer, Thomas J.F. Nieland, Monty Krieger, and Stuart L. Schreiber.
    Received: December 15, 2011; Last Update: September 18, 2014.
    • Probe Structure and Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probe(s)
    • Appendix D. Experimental Procedure for Additional Analytical Assays
    • Appendix E. Chemical Characterization Data for Probe 1
    • Appendix F. Prior Art Search
    • Appendix G. Compounds Provided to Evotec
    • Appendix H. Additional Analogs
    • Appendix I. Chemical Characterization Data for All Analogs
  • Identification of a novel, small molecule activator of KCNQ1 channels
    Haibo Yu, Zhihong Lin, Kaiping Xu, Xiaofang Huang, Shunyou Long, Meng Wu, Owen B. McManus, Julie Le Engers, Margrith E. Mattmann, Darren W. Engers, Uyen M. Le, Craig W. Lindsley, Corey R. Hopkins, and Min Li.
    Received: December 16, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • A Selective Inhibitor of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase (PfG6PDH)
    Patrick Maloney, Michael Hedrick, Satyamaheshwar Peddibhotla, Paul Hershberger, Monika Milewski, Palak Gosalia, Linda Li, Janina Preuss, Eliot Sugarman, Becky Hood, Eigo Suyama, Kevin Nguyen, Stefan Vasile, Eduard Sergienko, Sumeet Salanawil, Derek Stonich, Ying Su, Russell Dahl, Arianna Mangravita-Novo, Michael Vicchiarelli, Danielle McAnally, Layton H. Smith, Gregory Roth, Jena Diwan, Thomas D.Y. Chung, Anthony B. Pinkerton, Lars Bode, and Katja Becker.
    Received: December 16, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Supplementary Information
  • Identification of a Series of Quinazolinediones as Potent, Selective, Post-Entry Inhibitors of Human Respiratory Syncytial Virus (hRSV) via a Cell-Based High Throughput Screen and Chemical Optimization
    James W. Noah, William E. Severson, Donghoon H. Chung, Blake Moore, Fuli Jia, Xiaolin Xu, Clinton Maddox, Lynn Rasmussen, Melinda Ingrum Sosa, Nichole A. Tower, S. Ananthan, Carrie W. Evans, E. Lucile White, Colleen Jonsson, Daljit S. Matharu, Daniel P. Flaherty, Denise S. Simpson, Jennifer E. Golden, and Jeffrey Aubé.
    Received: December 16, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • APPENDIX. NMR, LCMS, HRMS and HPLC Data for Probe ML275 SID 124756536 CID 53301904
  • Identification of a Selective Allosteric Agonist of mGlu₅
    Jason Manka, Ya Zhou, Aspen Chun, Eric S. Dawson, Paige N. Vinson, Colleen M. Niswender, Meredith J. Noetzel, Jerri M. Rook, Thomas M. Bridges, J. Scott Daniels, Carrie Jones, P. Jeffrey Conn, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: December 16, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for scientific use of the probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of Selective Agonists of the Transient Receptor Potential Channels 3 (TRPML3)
    S Adrian Saldanha, Christian Grimm, Christophe Allais, Emery Smith, Souad Ouizem, Becky A. Mercer, William R. Roush, Stefan Heller, and Peter Hodder.
    Received: March 21, 2012; Last Update: September 3, 2013.
    • Probe Structures & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML 267 as a Novel Inhibitor of Pathogenic Sfp phosphopantetheinyl transferase (PPTase)
    TL Foley, G Rai, A Yasgar, MS Attene-Ramos, MD Burkart, A Simeonov, A Jadhav, and DJ Maloney.
    Received: March 21, 2012; Last Update: September 3, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery, SAR, and Biological Evaluation of Non-inhibitory Chaperones of Glucocerebrosidase
    Steven Rogers, Samarjit Patnaik, Frank Schoenen, Wei Zheng, Jae Choi, Omid Motabar, Noel Southall, Wendy Westbroek, Ehud Goldin, Ellen Sidransky, William Leister, Juan J. Marugan, and Jeffrey Aubé.
    Received: March 27, 2012; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML265: A potent PKM2 activator induces tetramerization and reduces tumor formation and size in a mouse xenograft model
    Jian-kang Jiang, Martin J. Walsh, Kyle R. Brimacombe, Dimitrios Anastasiou, Yimin Yu, William J. Israelsen, Bum-Soo Hong, Wolfram Tempel, Svetoslav Dimov, Henrike Veith, Hua Yang, Charles Kung, Katharine E. Yen, Lenny Dang, Francesco Salituro, Douglas S. Auld, Hee-Won Park, Matthew G. Vander Heiden, Craig J. Thomas, Min Shen, and Matthew B. Boxer.
    Received: March 16, 2012; Last Update: May 8, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML264: An Antitumor Agent that Potently and Selectively Inhibits Krüppel-like Factor Five (KLF5) Expression: A Probe for Studying Colon Cancer Development and Progression
    Agnieszka Bialkowska, Melissa Crisp, Franck Madoux, Tim Spicer, Ania Knapinska, Becky Mercer, Thomas D. Bannister, Yuanjun He, Sarwat Chowdhury, Michael Cameron, Vincent W. Yang, and Peter Hodder.
    Received: October 31, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Potent inhibitors of lipid droplet formation
    Jiwen Zou, Santhi Ganji, Ian Pass, Robert Ardecky, Mahesh Peddibhotla, Milan Loribelle, Susanne Heynen-Genel, Michelle Sauer, Ian Pass, Stefan Vasile, Eigo Suyama, Siobhan Malany, Arianna Mangravita-Novo, Michael Vicchiarelli, Danielle McAnally, Anton Cheltsov, Stonich Derek, Shenghua Shi, Ying Su, Fu-Yue Zeng, Anthony B. Pinkerton, Layton H. Smith, Sylvia Kim, Hung Ngyuen, Fu-Yue Zeng, Jena Diwan, Andrew J. Heisel, Rosalind Coleman, Patrick M. McDonough, and Thomas D.Y. Chung.
    Received: October 31, 2011; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplementary Information
  • A Selective Murine Intestinal Alkaline Phosphatase (muIAP) Inhibitor
    Santhi Ganji, Jiwen Zou, Brock Brown, Ekaterina V. Bobkova, Robert Ardecky, Craig Rosenstein, Ian Pass, Russell Dahl, Stefan Vasile, Eduard Sergienko, Shenghua Shi, Derek Stonich, Anton Cheltov, Ying Su, Arianna Mangravita-Novo, Michael Vicchiarelli, Danielle McAnally, Sylvia Kim, Hung Nguyen, Tina Kiffer Moreira, Layton H. Smith, Fu-Yue Zeng, Jena Diwan, Thomas D.Y. Chung, Anthony B. Pinkerton, Jonathan Kaunitz, and José Luis Millán.
    Received: October 31, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Selective Bcl-2 Inhibitor Probes
    Jiwen Zou, Robert Ardecky, Anthony B. Pinkerton, Eduard Sergienko, Ying Su, Derek Stonich, Ramona F. Curpan, Peter C. Simons, Dayong Zhai, Paul Diaz, Susan M. Young, Mark B. Carter, G. Cristian Bologa, Tudor I. Oprea, Bruce S. Edwards, Arnold C. Satterhwait, Arianna Mangravita-Novo, Michael Vicchiarelli, Danielle McAnally, Layton H. Smith, Jena Diwan, Thomas D.Y. Chung, John C. Reed, and Larry A. Sklar.
    Received: October 31, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplementary Information
  • Probe Development Efforts to Identify Novel Inhibitors of ABHD10
    Andrea M Zuhl, Justin T Mohr, Anna E Speers, Daniel A Bachovchin, Jacob M Berlin, Timothy Spicer, Virneliz Fernandez-Vega, Steven J Brown, Jill Ferguson, Greg C Fu, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: December 6, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Supplemental Information
  • Optimization and characterization of a carbamate inhibitor for plasma platelet-activating factor acetylhydrolase (pPAFAH)
    Joseph M G Nagano, Ku-Lung Hsu, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Brian J Bahnson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: November 30, 2011; Last Update: May 13, 2014.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Supplemental Information
  • Pure Positive Allosteric Modulators (PAMs) of mGlu5 with Competitive MPEP-Site Interaction
    Ya Zhou, Aspen Chun, Rocco D. Gogliotti, Eric S. Dawson, Paige N. Vinson, Colleen M. Niswender, Meredith J. Noetzel, Jerri M. Rook, Thomas M. Bridges, J. Scott Daniels, Carrie Jones, P. Jeffrey Conn, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: October 31, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Extended Probe Characterization: Development of an M₄ PAM with Improved Activity and Brain Exposure, while Avoiding Species Bias
    Colleen M. Niswender, Alice L. Rodriguez, Douglas J. Sheffler, Thomas J. Utley, Paige N. Vinson, Eric S. Dawson, Carrie K. Jones, Michael R. Wood, J. Scott Daniels, P. Jeffrey Conn, Julie L. Engers, Uyen M. Le, Bruce J. Melancon, Corey R. Hopkins, and Craig W. Lindsley.
    Received: October 31, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a novel, small molecule inhibitor of KCNQ2 channels
    Haibo Yu, Kaiping Xu, Beiyan Zou, Meng Wu, Owen B. McManus, Julie Le Engers, Yiu-Yin Cheung, James M. Salovich, Corey R. Hopkins, Craig W. Lindsley, and Min Li.
    Received: October 28, 2011; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of Selective Inhibitors of Phosphofructokinase as Lead Compounds Against Trypanosomiasis
    Martin J. Walsh, Kyle R. Brimacombe, Montserrat G. Vásquez-Valdivieso, Douglas S. Auld, Anton Simeonov, Hugh P. Morgan, Linda A. Fothergill-Gilmore, Paul A. M. Michels, Malcolm D. Walkinshaw, Min Shen, and Matthew B. Boxer.
    Received: October 18, 2011; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix
  • Optimization and Characterization of a Second Antagonist for G-protein Coupled Receptor 7 (GPR7)
    Miguel Guerrero, Mariangela Urbano, Zhiwei Wang, Jian Zhao, Subash Velaparthi, Marie-Therese Schaeffer, Steven J Brown, S Adrian Saldanha, Peter Chase, Jill Ferguson, Peter Hodder, Hugh Rosen, Olivier Civelli, and Edward Roberts.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Probe Development Efforts for an Allosteric Agonist of the Sphingosine 1-phosphate Receptor 3 (S1P3)
    Miguel Guerrero, Ramulu Poddutoori, Fernando Pinacho-Crisostomo, Marie-Therese Schaeffer, Steven J Brown, Timothy Spicer, Peter Chase, Jill Ferguson, Edward Roberts, Germana Sanna, Peter Hodder, and Hugh Rosen.
    Received: August 31, 2011; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a Novel Agonist of the Sphingosine 1-phosphate Receptor 4 (S1P4)
    Miguel Guerrero, Mariangela Urbano, Subash Velaparthi, Marie-Therese Schaeffer, Steven J Brown, Melissa Crisp, Jill Ferguson, Peter Hodder, Hugh Rosen, Michael Oldstone, and Edward Roberts.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery, SAR, and Biological Evaluation of a Non-Inhibitory Chaperone for Acid Alpha Glucosidase
    Juan J. Marugan, Wei Zheng, Marc Ferrer, Omid Motabar, Noel Southall, Ehud Goldin, Wendy Westbroek, and Ellen Sidransky.
    Received: December 16, 2011; Last Update: May 3, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix. Pharmacokinetics protocol and levels
  • Discovery and Development of Small Molecules That Reduce PNC Prevalence
    Kevin Frankowski, Samarjit Patnaik, Frank Schoenen, Sui Huang, John Norton, Chen Wang, Steve Titus, Marc Ferrer, Wei Zheng, Noel Southall, Victor W. Day, Jeffrey Aubé, and Juan Jose Marugan.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a Selective Small-Molecule Inhibitor of Breast Cancer Stem Cells—Probe 2
    Leigh C. Carmody, Andrew Germain, Barbara Morgan, Lynn VerPlank, Cristina Fernandez, Yuxiong Feng, Jose R. Perez, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Eric S. Lander, Piyush B. Gupta, and Stuart L. Schreiber.
    Received: November 30, 2011; Last Update: May 13, 2014.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Procedures for the Synthesis of the Probe
    • Appendix D. Experimental Procedures for Analytical Assays
    • Appendix E. Chemical Characterization Data for Probe and Analogs
    • Appendix G. Prior Art Search
    • Appendix H. SAR Analysis
    • Appendix I. Compounds Submitted to Evotec
  • Identification of a Selective Small-Molecule Inhibitor of Breast Cancer Stem Cells - Probe 3
    Leigh Carmody, Andrew Germain, Barbara Morgan, Lynn VerPlank, Cristina Fernandez, Yuxiong Feng, Jose Perez, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Eric S. Lander, Piyush B. Gupta, and Stuart L. Schreiber.
    Received: September 28, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a Selective Small-Molecule Inhibitor of Breast Cancer Stem Cells - Probe 1
    Leigh Carmody, Andrew Germain, Barbara Morgan, Lynn VerPlank, Cristina Fernandez, Erin Forbeck, Amal Ting, Yuxiong Feng, Jose Perez, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Eric Lander, Piyush B. Gupta, and Stuart L. Schreiber.
    Received: April 15, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction
    Jason Manka, Richard N. Daniels, Eric Dawson, J. Scott Daniels, Noel Southall, Ajit Jadhav, Wei Zheng, Chris Austin, Jolanta Grembecka, Tomasz Cierpicki, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: March 31, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of Thyroid Stimulating Hormone Receptor Inverse Agonists
    Wenwei Huang, Erika Englund, Steve Titus, Noel Southall, Wei Zheng, Marc Ferrer, Juan Marugan, Susanne Neumann, and Marvin Gershengorn.
    Received: March 31, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix 1. Assay Listing and Corresponding AIDs
  • ML223: A Small Molecule Probe With In Vivo Activity Against Acute Myeloid Leukemia Subtype M4Eo
    Juan J. Marugan, Jingbo Xiao, Wei Zheng, Noel Southall, Seameen Dehdashti, Lea Cunningham, and Pu Paul Liu.
    Received: April 4, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix 1. Caco-2 Permeability and Microsomal Stability Protocols
    • Appendix 2. Example syntheses of analogs
    • Appendix 3. Activity of analogs synthesized and other relevant compounds
  • Discovery of non-covalent inhibitors of the SARS main proteinase 3CLpro
    Jon Jacobs, Sandra Zhou, Eric Dawson, J. Scott Daniels, Peter Hodder, Valerie Tokars, Andrew Mesecar, Craig W. Lindsley, and Shaun R. Stauffer.
    Received: October 30, 2010; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
• Year 3 Reports
  • Potent Anti-Diabetic Actions of a Novel Non-Agonist PPARγ Ligand that Blocks Cdk5-Mediated Phosphorylation
    Theodore M. Kamenecka, Scott A. Busby, Naresh Kumar, Jang Hyun Choi, Alexander S. Banks, Dušica Vidovic, Michael D. Cameron, Stephan C. Schurer, Becky A. Mercer, Peter Hodder, Bruce M. Spiegelman, and Patrick R. Griffin.
    Received: July 5, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery and Development of Highly Potent Inhibitors of Mycobacterium tuberculosis Growth In Vitro
    E. Lucile White, Clinton Maddox, Ntsang Miranda Nebane, Nichole A. Tower, Sara McKellip, Anna Manuvakhova, Lakshmi Reddy, Melinda Sosa, Lynn Rasmussen, Kanupriya Whig, Subramaniam Ananthan, Shichun Lun, William Bishai, Warren S. Weiner, Frank Schoenen, Apurba Dutta, and Jeffrey Aubé.
    Received: April 15, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Selective, reversible inhibitors of the AAA ATPase p97
    Tsui-Fen Chou, Kelin Li, Brian E. Nordin, Patrick Porubsky, Kevin Frankowski, Mathew P. Patricelli, Jeffrey Aubé, Frank J. Schoenen, and Raymond Deshaies.
    Received: April 14, 2011; Last Update: May 1, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • ML238: An Antimalarial Small Molecule of a Unique Structural Class
    Michel Weiwer, Carol Mulrooney, Daniela Massi, Richard Heidebrecht, Roger Wiegand, Amanda K Lukens, Justin Dick, Dyann Wirth, Eric Ekland, Chih-Chien Cheng, Jean Zhao, Jing Yuan, Xin-Zhuan Su, Ronald L Johnson, Rajarshi Guha, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Craig Thomas, Christopher P Austin, David Fidock, and Stuart L Schreiber.
    Received: April 14, 2011; Last Update: December 12, 2011.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. Experimental Details of the Synthesis of the Probe
    • Appendix D. NMR and LC Data of Probe and Analogs
    • Appendix E. Activity of Several Other Analogs Synthesized During the Optimization Phase
    • Appendix F. Summary of Data Obtained by Assay Provider on 3D7 and Dd2 Cell Lines
    • Appendix G. Summary of Other Cytotoxicity Data
    • Appendix H. Compounds Provided to BioFocus
  • B-cell Specific Inhibitors of NF-κB Activation
    Jun Pu, Michael Hedrick, Paul Diaz, Daniela Divlianska, Mahesh Peddibhotla, Paul Hershberger, Palak Gosalia, Monika Milewski, Linda Li, Brock Brown, Gavin Magnuson, Gregory P Roth, Eduard Sergienko, Eigo Suyama, Eliot Sugarman, Kevin Nguyen, Alka Mehta, Stefan Vasile, Ying Su, Shenghua Shi, Derek Stonich, Hung Nguyen, Fu-Yue Zeng, Arianna Mangravita Novo, Michael Vicchiarelli, Jena Diwan, Thomas DY Chung, Carina Wimer, Ricardo G Correa, Anthony B Pinkerton, and John C Reed.
    Received: March 31, 2011; Last Update: November 21, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplementary Information
  • Functional Agonists of the Apelin (APJ) Receptor
    Pasha Khan, Patrick R Maloney, Michael Hedrick, Palak Gosalia, Monika Milewski, Linda Li, Gregory P Roth, Eduard Sergienko, Eigo Suyama, Eliot Sugarman, Kevin Nguyen, Alka Mehta, Stefan Vasile, Ying Su, Shenghua Shi, Derek Stonich, Hung Nguyen, Fu-Yue Zeng, Arianna Mangravita Novo, Michael Vicchiarelli, Jena Diwan, Thomas DY Chung, Anthony B Pinkerton, and Layton H Smith.
    Received: March 25, 2011; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Supplementary Information
  • A Cell Based HTS Approach for the Discovery of New Inhibitors of RSV
    James W. Noah, William Severson, Donghoon H. Chung, Blake Moore, Fuli Jia, Xiaolin Xu, Clinton Maddox, Lynn Rasmussen, Melinda Ingrum Sosa, Nichole A. Tower, S. Ananthan, E. Lucile White, Colleen Jonsson, Daljit S. Matharu, Jennifer E. Golden, Thomas E. Prisinzano, and Jeffrey Aubé.
    Received: April 15, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. APPENDIX: NMR, LCMS, HRMS and HPLC Data for Probe ML232 SID 10416954 CID 49842897
  • Profiling a Selective Probe for RTG Branch of Yeast TORC1 Signaling Pathway
    Jun Chen, Susan M. Young, Chris Allen, Anna Waller, Oleg Ursu, J. Jacob Strouse, Tuanli Yao, Jennifer E. Golden, Blake R. Peterson, Terry D. Foutz, Stephanie E. Chavez, Dominique Perez, Annette M. Evangelisti, Mathew J. Garcia, Cristian G. Bologa, Mark B. Carter, Virginia M. Salas, Tudor I. Oprea, Bruce S. Edwards, Nicolas Panchaud, Claudio De Virgilio, Andrew Seeber, Robbie Loewith, Elaine Manzanilla, Margaret Werner-Washburne, Jeffrey Aubé, and Larry A. Sklar.
    Received: April 15, 2011; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • APPENDIX A. NMR Data and LCMS Data for Probe SID 99300522 (CID 3392161)
    • APPENDIX B. Supporting Information for Analogs of Probe SID 99300522 (CID 3392161)
  • Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2
    J. Jacob Strouse, Irena Ivnitski-Steele, Hadya M. Njus, Terry D. Foutz, Tuanli Yao, Warren S. Weiner, Chad E. Schroeder, Denise S. Simpson, Brooks E. Maki, Kelin Li, Jennifer E. Golden, Anna Waller, Annette M. Evangelisti, Susan M. Young, Dominique Perez, Stephanie E. Chavez, Mathew J. Garcia, Oleg Ursu, Dan C. Fara, Cristian G. Bologa, Mark B. Carter, Virginia M. Salas, George P. Tegos, Tudor I. Oprea, Bruce S. Edwards, Richard S. Larson, Jeffrey Aubé, and Larry A. Sklar.
    Received: November 30, 2010; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • APPENDIX A. NMR Data and LCMS Data for Probe SID 88095709 (CID 44640177)
    • APPENDIX B. Continuation of Section 2.3: Probe Preparation
    • APPENDIX C. Proposed Biological Experimentation for Probe Enhancement
  • Identification of Small Molecules that Selectively Inhibit Fluconazole-Resistant Candida Albicans in the Presence of Fluconazole but not in its Absence - Probe 3
    Cathy L Hartland, Willmen Youngsaye, Chris Dockendorff, Stephen Johnston, Joshua Bittker, Benjamin Vincent, Luke Whitesell, Sivaraman Dandapani, Lawrence MacPherson, Benito Munoz, Michelle Palmer, Susan Lindquist, and Stuart L Schreiber.
    Received: March 31, 2011; Last Update: November 21, 2011.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. X-Ray Crystal Structure of CID 49835884
    • Appendix E. Compounds Submitted to BioFocus
    • Appendix F. Eagle Effect Dose-Response Curves
  • Discovery of a Small Molecule Activator of the Hypoxia Inducible Factor Pathway
    Jimmy R. Theriault, Jose Perez, Shawn Gilbert, Michelle Palmer, Stuart L. Schreiber, Craig W. Lindsley, Eric S. Dawson, Julie L. Engers, Andrew S. Felts, Brittney S. Bates, and Kyle A. Emmitte.
    Received: March 31, 2011; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix. Tabular Summary of all Assays
  • Optimization and characterization of a triazole urea inhibitor for alpha/beta hydrolase domain-containing protein 11 (ABHD11): anti-probe for LYPLA1/LYPLA2 dual inhibitor ML211
    Alexander Adibekian, Ku-Lung Hsu, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: March 31, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and characterization of a triazole urea inhibitor for platelet-activating factor acetylhydrolase type 2 (PAFAH2)
    Alexander Adibekian, Ku-Lung Hsu, Anna E Speers, Elizabeth S Monillas, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Brian J Bahnson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: March 31, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Functional antagonists of the Apelin (APJ) receptor
    Patrick R. Maloney, Pasha Khan, Michael Hedrick, Palak Gosalia, Monika Milewski, Linda Li, Gregory P. Roth, Eduard Sergienko, Eigo Suyama, Eliot Sugarman, Kevin Nguyen, Alka Mehta, Stefan Vasile, Ying Su, Derek Stonich, Hung Nguyen, Fu-Yue Zeng, Arianna Mangravita Novo, Michael Vicchiarelli, Jena Diwan, Thomas D.Y. Chung, Anthony B. Pinkerton, and Layton H. Smith.
    Received: March 22, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Modulators of Lipid Storage
    Matthew B. Boxer, Min Shen, Yaqin Zhang, Li Liu, Douglas S. Auld, and Mathias Beller.
    Received: December 15, 2010; Last Update: May 3, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Scaffold Hopping Affords a Highly Selective in vitro and in vivo T-Type Calcium Inhibitor Probe Free From IP Issues
    Xinmin Xie, John T. Brogan, Michael L. Schulte, Debbie Mi, Haibo Yu, Eric S. Dawson, Min Li, Owen McManus, Julie Engers, L. Michelle Lewis, Analisa Thompson, Carrie K. Jones, C. David Weaver, and Craig W. Lindsley.
    Received: March 31, 2011; Last Update: March 22, 2013.
    • Resulting Publications
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Reversible and non-covalent benzimidazole-based in vivo lead for Chagas disease
    Diane Luci, Wendy Lea, Rafaela Ferreira, Brian Shoichet, Anton Simeonov, Ana Rodriguez, Ajit Jadhav, and David J. Maloney.
    Received: April 15, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of ML216, a Small Molecule Inhibitor of Bloom (BLM) Helicase
    Andrew S. Rosenthal, Thomas S. Dexheimer, G Nguyen, Opher Gileadi, Alessandro Vindigni, Anton Simeonov, Ajit Jadhav, Ian Hickson, and David J. Maloney.
    Received: April 15, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of Inhibitors of Anti-Apoptotic Protein A1
    Joshua A Bittker, Michel Weiwer, Guo Wei, Andrew Germain, Emily Brown, Sivaraman Dandapani, Benito Munoz, Michelle Palmer, Todd Golub, and Stuart L Schreiber.
    Received: March 21, 2011; Last Update: November 21, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5 References
    • Appendix A. Compound Characterization
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe ML214 and Analogs
    • Appendix D. Compounds Provided to BioFocus
    • Appendix E. Cell line cytotoxicity data
  • A small molecule activator of KCNQ2 and KCNQ4 channels
    Haibo Yu, Meng Wu, Corey Hopkins, Julie Engers, Steve Townsend, Craig Lindsley, Owen B McManus, and Min Li.
    Received: March 29, 2011; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendix
  • Identification of small molecules that selectively inhibit fluconazole-resistant Candida albicans in the presence of fluconazole but not in its absence - Probe 2
    Cathy L Hartland, Willmen Youngsaye, Barbara Morgan, Amal Ting, Partha Nag, Sara Buhrlage, Stephen Johnston, Joshua Bittker, Benjamin Vincent, Luke Whitesell, Sivaraman Dandapani, Lawrence MacPherson, Benito Munoz, Michelle Palmer, Susan Lindquist, and Stuart L Schreiber.
    Received: March 24, 2011; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocol
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • Optimization and characterization of a triazole urea dual inhibitor for lysophospholipase 1 (LYPLA1) and lysophospholipase 2 (LYPLA2)
    Alexander Adibekian, Brent R Martin, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: February 25, 2011; Last Update: March 7, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix
  • Screen for RAS-Selective Lethal Compounds and VDAC Ligands - Probe 2
    Joshua A Bittker, Michel Weiwer, Tim Lewis, Kenichi Shimada, Wan S Yang, Lawrence MacPherson, Sivaraman Dandapani, Ben Munoz, Michelle Palmer, Brent R Stockwell, and Stuart L Schreiber.
    Received: February 10, 2011; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Summary of Completed Assays and AIDs
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • Identification of Potent and Selective RORγ Antagonists
    Wenwei Huang, Hang Wang, Ronald L. Johnson, Ruili Huang, Erika E. Englund, Jun Huh, and Dan R. Littman.
    Received: December 15, 2010; Last Update: February 25, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix 1. Listing of AIDs and assay details
  • Identification of Inhibitors of Trypanosoma brucei Hexokinases
    Elizabeth Sharlow, Jennifer E Golden, Heidi Dodson, Meredith Morris, Marcia Hesser, Todd Lyda, Stephanie Leimgruber, Chad E Schroeder, Dan P Flaherty, Warren S Weiner, Denise Simpson, John S Lazo, Jeffrey Aubé, and James C Morris.
    Received: December 15, 2010; Last Update: June 24, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Novel Chemical Inhibitor of TRPC4 Channels
    Melissa R. Miller, Jie Shi, Meng Wu, Julie Engers, Corey R. Hopkins, Craig W. Lindsley, James M. Salovich, Yingmin Zhu, Jin-Bin Tian, Michael X. Zhu, Owen B. McManus, and Min Li.
    Received: December 15, 2010; Last Update: May 26, 2011.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendix
  • 5-(4-(4-Acetylphenyl)piperazin-1-ylsulfonyl)indolin-2-one Analogs as Inhibitors of Acid alpha-Glucosidase for Potential Chaperone Treatment of Pompe Disease or Intervention for Diabetes Mellitus Type 2
    Jingbo Xiao, Juan J. Marugan, Wei Zheng, Omid Motabar, Noel Southall, Ehud Goldin, Ellen Sidransky, Ke Liu, Marc Ferrer, and Christopher P. Austin.
    Received: October 28, 2010; Last Update: May 3, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix 1. Assay Protocols
    • Appendix 2. Synthesis of Analogs
  • Small Molecule Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)
    Ganesha Rai, Vaddadi N. Vyjayanti, Dorjbal Dorjsuren, Anton Simeonov, Ajit Jadhav, David M. Wilson, and David J. Maloney.
    Received: October 29, 2010; Last Update: February 28, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Selective GPR35 Antagonists - Probe 3
    Susanne Heynen-Genel, Russell Dahl, Shenghua Shi, Michelle Sauer, Santosh Hariharan, Eduard Sergienko, Shakeela Dad, Thomas DY Chung, Derek Stonich, Ying Su, Pingwei Zhao, Marc G Caron, Mary E Abood, and Lawrence S Barak.
    Received: March 29, 2011; Last Update: November 21, 2011.
    • Probe(s) Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Center Summary of Results
    • 4. Probe(s)
    • 5. Comparative data showing probe specificity for target in biologically relevant assays
    • 6. Future studies
    • 7. References
    • Supplementary Materials
  • Screening for Selective Ligands for GPR55 - Antagonists
    Susanne Heynen-Genel, Russell Dahl, Shenghua Shi, Loribelle Milan, Santosh Hariharan, Eduard Sergienko, Michael Hedrick, Shakeela Dad, Derek Stonich, Ying Su, Michael Vicchiarelli, Arianna Mangravita-Novo, Layton H Smith, Thomas DY Chung, Haleli Sharir, Marc G Caron, Lawrence S Barak, and Mary E Abood.
    Received: October 30, 2010; Last Update: May 26, 2011.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Center Summary of Results
    • 3. Probe Optimization
    • 4. Probe
    • 5. Comparative data showing probe specificity for target in biologically relevant assays
    • Bibliography
  • Antagonist for the Kappa Opioid Receptor
    Michael P Hedrick, Palak Gosalia, Kelin Li, Kevin J Frankowski, Shenghua Shi, Thomas E Prisinzano, Frank Schoenen, Jeffrey Aubé, Ying Su, Derek Stonich, Stefan Vasile, Eduard Sergienko, Wilson Gray, Santosh Hariharan, Loribelle Milan, Susanne Heynen-Genel, Michael Vicchiarelli, Arianna Mangravita-Novo, John M Streicher, Layton H Smith, Thomas DY Chung, Marc Caron, Laura M Bohn, and Lawrence S Barak.
    Received: October 31, 2010; Last Update: May 26, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix. Synthetic procedures and compound characterization
  • Identification of small molecules that selectively inhibit fluconazole-resistant Candida albicans in the presence of fluconazole but not in its absence
    Cathy L Hartland, Willmen Youngsaye, Barbara Morgan, Sara Buhrlage, Joshua Bittker, Stephen Johnston, Susan Lindquist, Luke Whitesell, Benjamin Vincent, Lawrence MacPherson, Ben Munoz, Michelle Palmer, and Stuart L. Schreiber.
    Received: October 29, 2010; Last Update: November 7, 2012.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Detailed Assay Protocols
    • Appendix B. Spectroscopic data for SAR analogs reported in Section 3.4
    • Appendix C. Compounds submitted to BioFocus
  • Identification of Small Molecule Inhibitors that Suppress Cytokine-Induced Apoptosis in Human Pancreatic Islet Cells
    Patrick W Faloon, Danny Hung-Chieh Chou, Erin M Forbeck, Deepika Walpita, Barbara Morgan, Sara Buhrlage, Amal Ting, Jose Perez, Lawrence J MacPherson, Jeremy R Duvall, Sivaraman Dandapani, Lisa A Marcaurelle, Ben Munoz, Michelle Palmer, Michael Foley, Bridget Wagner, and Stuart L Schreiber.
    Received: October 29, 2010; Last Update: May 26, 2011.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • Screening for Selective Ligands for GPR55 - Agonists
    Susanne Heynen-Genel, Russell Dahl, Shenghua Shi, Loribelle Milan, Santosh Hariharan, Yalda Bravo, Eduard Sergienko, Michael Hedrick, Shakeela Dad, Derek Stonich, Ying Su, Michael Vicchiarelli, Arianna Mangravita-Novo, Layton H Smith, Thomas DY Chung, Haleli Sharir, Lawrence S Barak, and Mary E Abood.
    Received: September 29, 2010; Last Update: May 26, 2011.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Center Summary of Results
    • 3. Probe Optimization
    • 4. Probe
    • 5. Comparative data showing probe specificity for target in biologically relevant assays
    • Bibliography
  • Discovery of a potent, selective and orally active in vivo mGlu₄ positive allosteric modulator
    Corey R. Hopkins, Darren W. Engers, Colleen M. Niswender, Carrie K. Jones, Eric Dawson, C. David Weaver, J. Scott Daniels, P. Jeffrey Conn, and Craig W. Lindsley.
    Received: October 29, 2010; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and Characterization of an Antagonist for G-Protein Coupled Receptor 7 (GPR7)
    Miguel Guerrero, Mariangela Urbano, Zhiwei Wang, Jian Zhao, Subash Velaparthi, Marie-Therese Schaeffer, Steven J Brown, S Adrian Saldanha, Peter Chase, Jill Ferguson, Olivier Civelli, Edward Roberts, Peter Hodder, and Hugh Rosen.
    Received: October 13, 2010; Last Update: November 21, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of Inverse Agonists for the Liver Receptor Homologue-1 (LRH1; NR5A2)
    Scott Busby, Philippe Nuhant, Michael Cameron, Becky A Mercer, Peter Hodder, William R Roush, and Patrick R Griffin.
    Received: October 12, 2010; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Probe Development Efforts to Identify Novel Agonists of the Sphingosine 1-phosphate Receptor 4 (S1P4)
    Miguel Guerrero, Mariangela Urbano, Subash Velaparthi, Jian Zhao, Marie-Therese Schaeffer, Steven J Brown, Melissa Crisp, Jill Ferguson, Edward Roberts, Michael Oldstone, Peter Hodder, and Hugh Rosen.
    Received: October 12, 2010; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of Small Molecule Inhibitors of Wee1 Degradation and Mitotic Entry
    Scott Simanski, Franck Madoux, Ronald J. Rahaim, Peter Chase, Stephan Schurer, Michael Cameron, Becky A. Mercer, Peter Hodder, William R. Roush, and Nagi G. Ayad.
    Received: September 1, 2010; Last Update: March 22, 2013.
    • Probe Structure & Characteristics
    • 1. Recommendations for Scientific Use of the Probe
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of a novel selective inverse agonist probe and analogs for the Retinoic acid receptor-related Orphan Receptor Alpha (RORα)
    Naresh Kumar, Philippe Nuhant, Laura A. Solt, Juliana J. Conkright, Yongjun Wang, Monica A. Istrate, Scott A. Busby, D. Garcia-Ordonez Ruben, Thomas P. Burris, Michael Cameron, Becky A. Mercer, Peter Hodder, William R. Roush, Hugh Rosen, and Patrick R. Griffin.
    Received: September 1, 2010; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and Characterization of an Inhibitor for Glutathione S-Tranferase Omega 1 (GSTO1)
    Katsunori Tsuboi, Daniel A Bachovchin, Anna E Speers, Steven J Brown, Timothy Spicer, Virneliz Fernandez-Vega, Jill Ferguson, Benjamin F Cravatt, Peter Hodder, and Hugh Rosen.
    Received: August 31, 2010; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Supplemental SAR Tables
    • Supplemental Figures
  • Probe Development Efforts to Identify Novel Inhibitors of Protein Phosphatase Methylesterase-1 (PME-1)
    DA Bachovchin, AE Speers, SJ Brown, TP Spicer, Fernandez-Vega, V, J Ferguson, JT Mohr, J Murphy, GC Fu, BF Cravatt, PS Hodder, and H Rosen.
    Received: August 31, 2010; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of a Highly Selective in vitro and in vivo M₄ Positive Allosteric Modulator (PAM) Series with Greatly Improved Human Receptor Activity
    Thomas M. Bridges, Colleen M. Niswender, Carrie K. Jones, L. Michelle Lewis, C. David Weaver, Michael R. Wood, J. Scott Daniels, P. Jeffrey Conn, and Craig W. Lindsley.
    Received: August 31, 2010; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Development of the First Highly Selective mAChR 5 (M₅) Positive Allosteric Modulator (PAM)
    Thomas M. Bridges, L. Michelle Lewis, C. David Weaver, Michael R. Wood, J. Scott Daniels, P. Jeffrey Conn, and Craig W. Lindsley.
    Received: August 31, 2010; Last Update: March 14, 2013.
    • Probe Structure & Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Optimization and Characterization of an Inhibitor for NADPH Oxidase 1 (NOX-1)
    D Gianni, N Nicolas, H Zhang, C Der Mardirossian, J Kister, L Martinez, J Ferguson, WR Roush, SJ Brown, GM Bokoch, P Hodder, and H Rosen.
    Received: October 13, 2010; Last Update: December 12, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
• Year 2 Reports
  • Discovery, SAR and Biological Evaluation of Aryl-thiazol-piperidines as SMN Modulators
    Jingbo Xiao, Juan J Marugan, Wei Zheng, Steve Titus, Noel Southall, Jonathan J Cherry, Matthew Evans, Elliot J Androphy, and Christopher P Austin.
    Received: March 19, 2010; Last Update: May 5, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Antagonists of IAP-family anti-apoptotic proteins - Probe 2
    Marcos Lopez, Kate Welsh, Hongbin Yuan, Derek Stonich, Ying Su, Xochella Garcia, Michael Cuddy, Richard Houghten, Eduard Sergienko, John C Reed, Robert Ardecky, Santhi Reddy, Darren Finlay, Kristiina Vuori, Shakeela Dad, Thomas DY Chung, and Nicholas DP Cosford.
    Received: September 1, 2009; Last Update: February 10, 2011.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Identification of activators for the M2 isoform of human pyruvate kinase Version 3
    Matthew B Boxer, Jian-kang Jiang, Matthew G Vander Heiden, Min Shen, Henrike Veith, Lewis C Cantley, and Craig J Thomas.
    Received: September 1, 2009; Last Update: March 3, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of these probes
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • Probe properties
    • 5. References
  • Discovery and development of a second highly selective M₁ Positive Allosteric Modulator (PAM)
    Thomas M Bridges, Paul R Reid, L Michelle Lewis, Eric S Dawson, C David Weaver, Michael R Wood, and Craig W Lindsley.
    Received: March 31, 2010; Last Update: October 29, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Assay Implementation and Screening
    • Bibliography
    • Appendix I. Solubility, Stability and Reactivity data as determined by Absorption Systems
    • Appendix II. Liquid Chromatography-Mass Spectrometry (LCMS) and Nuclear Magnetic Resonance (NMR) as prepared by Vanderbilt Specialized Chemistry Center
  • Identification of compounds which inhibit cytotoxicity associated with mutant Huntingtin protein expression
    Steve Titus, Natalie Elia, Noel Southall, Wei Zheng, Juan Jose Marugan, and Marcy MacDonald.
    Received: March 30, 2010; Last Update: March 11, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • An inhibitor of the Cdc2-like kinase 4 (Clk4)
    Andrew S Rosenthal, Cordelle Tanega, Min Shen, Bryan T Mott, James M Bougie, Dac-Trung Nguyen, Tom Misteli, Douglas S Auld, David J Maloney, and Craig J Thomas.
    Received: March 29, 2010; Last Update: March 3, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • Probe properties
    • 5. References
  • Inhibitors of Platelet Integrin αllbβ3
    Josh McCoy, Min Shen, Wenwei Huang, Barry Coller, and Craig J Thomas.
    Received: March 27, 2010; Last Update: March 3, 2011.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection - Probe 1
    Leigh C Carmody, Andrew Germain, Douglas Barker, Cristina Galan-Rodriguez, Esther Bettiol, Ana Rodriguez, Lawrence MacPherson, Michelle Palmer, and Stuart L Schreiber.
    Received: March 26, 2010; Last Update: March 11, 2011.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • Identification of a small molecule that selectively activates alpha-synuclein translational expression
    Nathan T Ross, Shailesh R Metkar, Hanh Le, Jason Burbank, Catherine Cahill, Andrew Germain, Lawrence MacPherson, Joshua Bittker, Michelle Palmer, Jack Rogers, and Stuart L Schreiber.
    Received: February 4, 2011; Last Update: February 15, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendices
  • Screen for RAS-Selective Lethal Compounds and VDAC Ligands - Probe 1
    Joshua A Bittker, Michel Weiwer, Kenichi Shimada, Wan S Yang, Lawrence MacPherson, Sivaraman Dandapani, Ben Munoz, Michelle Palmer, Brent R Stockwell, and Stuart L Schreiber.
    Received: March 26, 2010; Last Update: February 10, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendices
  • Chemical Genetic Analysis of Platelet Granule Secretion-Probe 3
    Lynn VerPlank, Chris Dockendorff, Joseph Negri, Jose R Perez, James Dilks, Lawrence MacPherson, Michelle Palmer, Robert Flaumenhaft, and Stuart L Schreiber.
    Received: March 25, 2010; Last Update: February 10, 2011.
    • Probe Structure and Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendices
    • Acknowledgements
  • Chemical Genetic Analysis of Platelet Granule Secretion-Probe 2
    Lynn VerPlank, Chris Dockendorff, Joseph Negri, Jose R Perez, James Dilks, Lawrence MacPherson, Michelle Palmer, Robert Flaumenhaft, and Stuart L Schreiber.
    Received: March 25, 2010; Last Update: February 10, 2011.
    • Probe Structure and Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendices
    • Acknowledgements
  • Chemical Genetic Analysis of Platelet Granule Secretion-Probe 1
    Lynn VerPlank, Chris Dockendorff, Joseph Negri, Jose R Perez, James Dilks, Lawrence MacPherson, Michelle Palmer, Robert Flaumenhaft, and Stuart L Schreiber.
    Received: March 25, 2010; Last Update: February 10, 2011.
    • Probe Structure and Characteristics
    • Recommendations for Scientific Use of the Probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Acknowledgements
    • Appendices
  • Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection - Probe 3
    Leigh C Carmody, Andrew Germain, Douglas Barker, Cristina Galan-Rodriguez, Esther Bettiol, Ana Rodriguez, Lawrence MacPherson, Michelle Palmer, and Stuart L Schreiber.
    Received: March 25, 2010; Last Update: March 11, 2011.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection
    Leigh C Carmody, Andrew Germain, Douglas Barker, Cristina Galan-Rodriguez, Esther Bettiol, Ana Rodriguez, Lawrence MacPherson, Michelle Palmer, and Stuart L Schreiber.
    Received: March 25, 2010; Last Update: February 10, 2011.
    • Probe Structure and Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendices
  • Identification of Modulators of the N370S Mutant Form of Glucocerebrosidase as a Potential Therapy for Gaucher Disease - Chemotype 2
    Omid Motabar, Wenwei Huang, Juan Jose Marugan, Noel Southall, Maria DeBernardi, Wei Zheng, and Ellen Sidransky.
    Received: March 24, 2010; Last Update: March 25, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5 References
  • Identification of Modulators of the N370S Mutant Form of Glucocerebrosidase as a Potential Therapy for Gaucher Disease - Chemotype 1
    Omid Motabar, Wenwei Huang, Juan Jose Marugan, Noel Southall, Maria DeBernardi, Wei Zheng, and Ellen Sidransky.
    Received: March 24, 2010; Last Update: May 5, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of Small Molecule Antagonists of the Neuropeptide-S Receptor
    Samarjit Patnaik, Juan Marugan, Ke Liu, Wei Zheng, Annika Thorsell, Robert Eskay, Noel Southall, Markus Heilig, James Inglese, and Christopher Austin.
    Received: March 19, 2010; Last Update: December 16, 2010.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Toward Improved Therapy for Classic Galactosemia
    Matthew B Boxer, Min Shen, Cordelle Tanega, Manshu Tang, Kent Lai, and Douglas S Auld.
    Received: March 18, 2010; Last Update: March 3, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • Probe properties
    • 5. References
  • qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2
    Wenwei Huang, Ronald L Johnson, Ruili Huang, Jennifer Wichterman, Jong Yeon Hwang, and R Kip Guy.
    Received: March 18, 2010; Last Update: March 25, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5 References
  • Identification of a small molecule that selectively inhibits alpha-synuclein translational expression
    Nathan T Ross, Shailesh R Metkar, Hanh Le, Jason Burbank, Catherine Cahill, Andrew Germain, Lawrence MacPherson, Joshua Bittker, Michelle Palmer, Jack Rogers, and Stuart L Schreiber.
    Received: February 10, 2011; Last Update: February 15, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • 6. Appendices
  • Potent and selective inhibitors of NAD⁺-dependent 15-hydroxyprostaglandin dehydrogenase (HPGD)
    Ajit Jadhav, Frank H Niesen, Lena Schultz, Udo Oppermann, David J Maloney, and Anton Simeonov.
    Received: March 4, 2010; Last Update: March 11, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • High Throughput Screening Assays for NOD1 Inhibitors - Probe 2
    Gavin Magnuson, Pasha Khan, Hongbin Yuan, Brock Brown, Daniela B Divlianska, Derek Stonich, Mahesh Peddibhotla, Ying Su, Shakeela Dad, Eduard Sergienko, Thomas DY Chung, Gregory P Roth, Carina Wimer, Paul Diaz, Ricardo G Correa, and John C Reed.
    Received: February 28, 2010; Last Update: October 4, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Comparative data showing probe specificity for target in biologically relevant assays
    • 5. Bibliography
  • Selective GPR35 Antagonists - Probes 1 & 2
    Susanne Heynen-Genel, Russell Dahl, Shenghua Shi, Michelle Sauer, Santosh Hariharan, Eduard Sergienko, Shakeela Dad, Thomas DY Chung, Derek Stonich, Ying Su, Marc Caron, Pingwei Zhao, Mary E Abood, and Lawrence S Barak.
    Received: February 28, 2010; Last Update: October 4, 2010.
    • Probe(s) Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe(s)
    • 4. Comparative data showing probe specificity for target in biologically relevant assays
    • 5. References
  • A Cell Based Assay for the Identification of Lead Compounds with Anti-Viral Activity Against West Nile Virus
    DongHoon Chung, Robert Ardecky, Santhi Reddy Ganji, Nicholas DP Cosford, Colleen B Jonsson, Blake P Moore, Fuli Jia, Clinton Maddox, Sara N McKellip, E Lucile White, Subramaniam Ananthan, Shuang Feng, Lynn Rasmussen, Ying Su, Thomas DY Chung, Shakeela Dad, Nichole A Tower, and Marintha Heil.
    Received: February 27, 2010; Last Update: October 4, 2010.
    • Probe(s) Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe(s)
    • 4. Comparative data showing probe specificity for target in biologically relevant assays
    • 5. Bibliography
  • A Potent and Selective Inhibitor of Cdc42 GTPase
    Zurab Surviladze, Anna Waller, J Jacob Strouse, Cristian Bologa, Oleg Ursu, Virginia Salas, John F Parkinson, Genevieve K Phillips, Elsa Romero, Angela Wandinger-Ness, and Larry A Sklar. Chad Schroeder, Denise Simpson, Julica Nöth, Jenna Wang, Jennifer Golden, and Jeffrey Aubé.
    Received: February 27, 2010; Last Update: December 16, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe and prior art overview
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe Information and Characteristics
    • 4. Comparison to Prior Art for Cdc42 Inhibitors
    • 5. Bibliography
  • Selective KOP Receptor Antagonists: Probe 1
    Michael P Hedrick, Palak Gosalia, Kevin Frankowski, David A Whipple, Shenghua Shi, Thomas E Prisinzano, Frank Schoenen, Jeffrey Aubé, Ying Su, S Vasile, Eduard Sergienko, Wilson Gray, Santosh Hariharan, Loribelle Milan, Susanne Heynen-Genel, Thomas DY Chung, Shakeela Dad, Marc Caron, Laura M Bohn, and Lawrence S Barak.
    Received: February 28, 2010; Last Update: October 4, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Comparative data showing probe specificity for target in biologically relevant assays
    • 5. Bibliography
    • Appendix. Synthetic procedures and compound characterization
  • Selective KOP Receptor Agonists: Probe 1 & Probe 2
    Michael P Hedrick, Palak Gosalia, Kevin Frankowski, Shenghua Shi, Thomas E Prisinzano, Frank Schoenen, Jeffrey Aubé, Ying Su, S Vasile, Eduard Sergienko, Wilson Gray, Santosh Hariharan, Partha Ghosh, Loribelle Milan, Susanne Heynen-Genel, Thomas DY Chung, Shakeela Dad, Marc Caron, Laura M Bohn, and Lawrence S Barak.
    Received: February 28, 2010; Last Update: October 4, 2010.
    • Probe(s) Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe(s)
    • 4. Comparative data showing probe specificity for target in biologically relevant assays
    • 5. Bibliography
  • Discovery and development of the a highly selective M₁ Positive Allosteric Modulator (PAM)
    Thomas M Bridges, L Michelle Lewis, Eric S Dawson, C David Weaver, and Craig W Lindsley.
    Received: February 26, 2010; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Assay Implementation and Screening
    • Bibliography
    • APPENDIX I. Solubility, Stability and Reactivity data as determined by Absorption Systems
    • APPENDIX II. Liquid Chromatography-Mass Spectrometry (LCMS) and Nuclear Magnetic Resonance (NMR) as prepared by Vanderbilt Specialized Chemistry Center
  • Probe Report for PME-1 Inhibitors
    DA Bachovchin, AE Speers, AM Zuhl, SJ Brown, BF Cravatt, Fernandez-Vega, V, T Spicer, BA Mercer, J Ferguson, P Hodder, and HR Rosen.
    Received: February 26, 2010; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Probe Selection
    • Recommendations for the Scientific Use of This Probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. References
  • Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci - Probe 3
    W Frank An, Shailesh R Metkar, Willmen Youngsaye, Partha P Nag, Cathy L Hartland, Douglas Barker, Jose R Perez, Hongmin Sun, Lawrence MacPherson, Michelle Palmer, and Stuart L Schreiber.
    Received: February 26, 2010; Last Update: March 11, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and UPLC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci - Probe 2
    W Frank An, Shailesh R Metkar, Timothy A Lewis, Partha P Nag, Cathy L Hartland, Douglas Barker, Jose R Perez, Hongmin Sun, Lawrence MacPherson, Michelle Palmer, and Stuart L Schreiber.
    Received: February 26, 2010; Last Update: March 11, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • A potent and selective small molecule Kir2.1 inhibitor
    Meng Wu, Hao-ran Wang, Haibo Yu, Elena Makhina, Jia Xu, Eric S Dawson, Corey R Hopkins, Craig W Lindsley, Owen B McManus, and Min Li.
    Received: February 26, 2010; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • A small molecule inhibitor of Caspase 1
    Matthew B Boxer, Min Shen, Douglas S Auld, James A Wells, and Craig J Thomas.
    Received: February 25, 2010; Last Update: March 3, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Probe Development Efforts to Identify Novel Antagonists of the Sphingosine 1-phosphate Receptor 4 (S1P4)
    M Oldstone, P Hodder, M Crisp, E Roberts, M Guerrero, M Urbano, S Velaparthi, J Zhao, H Rosen, MT Schaeffer, S Brown, and J Ferguson.
    Received: February 24, 2010; Last Update: December 16, 2010.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • High Throughput Screening Assays for NOD1 Inhibitors - Probe 1
    Gavin Magnuson, Pasha Khan, Hongbin Yuan, Brock Brown, Daniela B Divlianska, Derek Stonich, Mahesh Peddibhotla, Ying Su, Shakeela Dad, Eduard Sergienko, Thomas DY Chung, Gregory P Roth, Carina Wimer, Paul Diaz, Ricardo G Correa, and John C Reed.
    Received: January 23, 2010; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Comparative data showing probe specificity for target in biologically relevant assays
    • 5. Bibliography
  • Discovery of the first mAChR 5 (M5) selective ligand, an M5 Positive Allosteric Modulator (PAM)
    Thomas M Bridges, L Michelle Lewis, C David Weaver, and Craig W Lindsley.
    Received: December 18, 2009; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Screening Center Information: Assay Implementation and Screening
    • Bibliography
    • APPENDIX I. Solubility, Stability and Reactivity data as determined by Absorption Systems
    • APPENDIX II. Liquid Chromatography-Mass Spectrometry (LCMS) and Nuclear Magnetic Resonance (NMR) as prepared by Vanderbilt Specialized Chemistry Center
  • Discovery of a potent, selective and in vivo active mGluR4 positive allosteric modulator
    Corey R Hopkins, Colleen M Niswender, L Michelle Lewis, C David Weaver, and Craig W Lindsley.
    Received: December 18, 2009; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Screening Center Information: Assay Implementation and Screening
    • Bibliography
    • APPENDIX I. Solubility, Stability and Reactivity data as determined by Absorption Systems
    • APPENDIX II. Liquid Chromatography-Mass Spectrometry (LCMS) and Nuclear Magnetic Resonance (NMR) as prepared by Vanderbilt Specialized Chemistry Center
  • Selective Small Molecule Inhibitors of 12-Human Lipoxygenase (12-hLO)
    Ganesha Rai, Ajit Jadhav, Lena Schultz, Victor Kenyon, William Leister, Anton Simeonov, Theodore R Holman, and David J Maloney.
    Received: November 30, 2009; Last Update: March 25, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci - Probe 1
    W Frank An, Shailesh R Metkar, Partha P Nag, Cathy L Hartland, Douglas Barker, Jose R Perez, Hongmin Sun, Lawrence MacPherson, Michelle Palmer, and Stuart L Schreiber.
    Received: November 16, 2009; Last Update: March 11, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
    • Appendix A. Assay Summary Table
    • Appendix B. Detailed Assay Protocols
    • Appendix C. NMR and LC Data of Probe and Analogs
    • Appendix D. Compounds Submitted to BioFocus
  • Campaign to identify novel modulators of the Retinoic acid receptor-related Orphan Receptors (ROR)
    N Kumar, LA Solt, J Conkright, Y Wang, MA Istrate, SA Busby, RD Garcia-Ordonez, P Nuhant, T Burris, BA Mercer, P Hodder, WR Roush, H Rosen, and PR Griffin.
    Received: January 3, 2009; Last Update: March 11, 2011.
    • Probe Structure & Characteristics: ML124 & ML125
    • Recommendations for scientific use of the probe (ML124 and ML125)
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Campaign to Identify Agonists of Transient Receptor Potential Channels 3 and 2 (TRPML3 & TRPML2)
    SA Saldanha, C Grimm, BA Mercer, JY Choi, C Allais, WR Roush, S Heller, and P Hodder.
    Received: November 13, 2009; Last Update: May 5, 2011.
    • Recommendations for scientific use of the probe (ML118)
    • 1. Introduction
    • 3. Results
    • 4. Discussion
    • 5. References
  • HTS Assay for Discovery of Novel Metallo-Beta-lactamase (MBL) Inhibitors
    D Minond, SA Saldanha, T Spicer, Liu Qin, BA Mercer, WR Roush, and P Hodder.
    Received: November 13, 2009; Last Update: May 5, 2011.
    • Recommendations for scientific use of the probe (ML121)
    • 1. Introduction
    • 3. Results
    • 4. Discussion
    • 5. References
  • Selective HePTP Inhibitors: Probe 2
    Eduard Sergienko, Ekaterina Bobkova, Sharon Colayco, Justin Rascon, Xochella Chan, Stefan Vasile, Ying Su, Russell Dahl, Thomas DY Chung, Shakeela Dad, Tomas Mustelin, Wallace Liu, David A Critton, Rebecca Page, and Lutz Tautz.
    Received: November 1, 2009; Last Update: October 4, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Selective HePTP Inhibitors: Probe 1
    Eduard Sergienko, Ekatarina Bobkova, Stefan Vasile, Hongbin Yuan, Ying Su, Russell Dahl, Li Yang, Thomas DY Chung, Shakeela Dad, Tomas Mustelin, Wallace Liu, David A Critton, Rebecca Page, and Lutz Tautz.
    Received: November 1, 2009; Last Update: October 4, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Small Molecule Inhibitors of Wee1 Degradation and Mitotic Entry
    F Madoux, J Mishra, BA Mercer, N Ayad, W Roush, P Hodder, and HR Rosen.
    Received: August 14, 2009; Last Update: March 25, 2011.
    • Recommendations for scientific use of the probe (ML118)
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Modulators of STAT Transcription Factors for the Targeted Therapy of Cancer (STAT3 Inhibitors)
    F Madoux, M Koenig, H Sessions, E Nelson, BA Mercer, M Cameron, W Roush, D Frank, and P Hodder.
    Received: August 28, 2009; Last Update: March 25, 2011.
    • Recommendations for scientific use of the probe (ML116)
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Modulators of STAT Transcription Factors for the Targeted Therapy of Cancer (STAT3 Activators)
    F Madoux, M Koenig, E Nelson, S Chowdhury, M Cameron, B Mercer, W Roush, D Frank, and P Hodder.
    Received: August 27, 2009; Last Update: December 16, 2010.
    • Probe Structure & Characteristics: ML115
    • Recommendations for scientific use of the probe (ML115)
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Probe Report for RBBP9 Inhibitors - Probe 2
    DA Bachovchin, AE Speers, SJ Brown, BF Cravatt, V, Fernandez-Vega, T Spicer, BA Mercer, J Ferguson, P Hodder, and HR Rosen.
    Received: August 20, 2009; Last Update: October 20, 2010.
    • Probe Structure & Characteristics and Prior Art
    • Probe Selection
    • Recommendations for the Scientific Use of This Probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. References
  • Small-Molecule Inhibitors of Vaccinia-H1-Related Phosphatase VHR
    Lutz Tautz, Tomas Mustelin, Shuangding Wu, Sofie Vossius, Souad Rahmouni, Stefan Vasile, Eduard Sergienko, Derek Stonich, Hongbin Yuan, Ying Su, Russell Dahl, Yalda Mostofi, and Thomas DY Chung.
    Received: October 31, 2009; Last Update: October 4, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Discovery of a small molecule inhibitor of ROMK with unprecedented selectivity
    Jerod S Denton, C David Weaver, Brian A Chauder, and Craig W Lindsley.
    Received: September 1, 2009; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Assay Implementation and Screening
    • Bibliography
    • APPENDIX I. Solubility, Stability and Reactivity data as determined by Absorption Systems
  • Discovery of a small molecule inhibitor of ROMK and Kir7.1
    Jerod S Denton, C David Weaver, L Michelle Lewis, Brian A Chauder, and Craig W Lindsley.
    Received: September 1, 2009; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Assay Implementation and Screening
    • Bibliography
    • APPENDIX I. Solubility, Stability and Reactivity data as determined by Absorption Systems
  • Identification of Potent and Selective Thyroid Stimulating Hormone Receptor Agonists
    Steve Titus, Wenwei Huang, Juan Marugan, Noel Southall, Jim Inglese, Christopher Austin, Wei Zheng, Erika Englund, Susanne Neumann, and Marvin Gershengorn.
    Received: September 1, 2009; Last Update: March 25, 2011.
    • Probe Structure & Characteristics
    • Recommendations for scientific use of the probe
    • 1. Introduction
    • 2. Materials and Methods
    • 3. Results
    • 4. Discussion
    • 5. References
  • Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM)
    L Michelle Lewis, Thomas M Bridges, Colleen M Niswender, C David Weaver, and Craig W Lindsley.
    Received: September 1, 2009; Last Update: October 20, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Assay Implementation and Screening
    • Bibliography
    • APPENDIX I. Solubility, Stability and Reactivity data as determined by Absorption Systems
    • APPENDIX II. Liquid Chromatography-Mass Spectrometry (LCMS) and Nuclear Magnetic Resonance (NMR) as prepared by Vanderbilt Specialized Chemistry Center
• Year 1 Reports
  • A high-throughput screen for pre-mRNA splicing modulators
    Douglas Auld, Min Shen, and Craig Thomas.
    Received: May 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics: ML106
    • Recommendations for the scientific use of this probe
    • Probe Structure & Characteristics: ML105
    • Recommendations for the scientific use of this probe
    • The Role of Clk4 in alternate splicing
    • Assay Implementation and Screening
    • Probe Characterization: CID-3232621/ML106
    • Probe Characterization: CID-3234998/ML105
    • Bibliography
  • High throughput screening for SMA
    Steve Titus, Juan Marugan, Noel Southall, Jim Inglese, Chris Austin, and Wei Zheng. Elliot Androphy.
    Received: May 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • High Throughput Screening for Small Molecule Inhibitors of Heparin-induced Tau Fibril Formation
    Ronald L Johnson, Wenwei Huang, and Ruili Huang. Alex Crowe, Carlo Ballatore, John Q Trojanowski, Kurt R Brunden, and Virginia M-Y Lee.
    Received: May 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Assay Implementation and Screening
    • Probe Characterization
    • Synthesis of analogs
    • Appendices
    • Bibliography
  • HTS for Identification of Inhibitors against the ERK Signaling Pathway using a Homogenous Cell-based Assay
    Juan Marugan, Seameen Dehdashti, Wei Zheng, Noel Southall, James Inglese, and Christopher Austin.
    Received: May 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Introduction
    • Materials and Methods
    • Results
    • Probe description
    • Bibliography
  • Antagonists of IAP-family anti-apoptotic proteins - Probe 1
    Kate Welsh, Hongbin Yuan, Derek Stonich, Ying Su, Xocella Garcia, Michael Cuddy, Richard Houghten, Eduard Sergienko, John C Reed, Robert Ardecky, Santhi Reddy Ganji, Marcos Lopez, Shakeela Dad, Thomas DY Chung, and Nicholas Cosford.
    Received: May 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • uHTS for the identification of compounds that potentiate TRAIL-induced apoptosis of cancer cells
    Dmitri Rozanov, Brock Brown, Cheng-Tien Hung, Eduard Sergienko, Carlton Gasior, Palak Shah, Steve Vasile, Ying Su, Derek Stonich, Patrick Maloney, Greg Roth, Shakeela Dad, and Thomas DY Chung.
    Received: May 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Three small molecule pan activator families of Ras-related GTPases
    Zurab Surviladze, Oleg Ursu, Fabiola Miscioscia, Ramona Curpan, Liliana Halip, Cristian Bologa, Tudor Oprea, Anna Waller, Juan Strouse, Virginia Salas, Yang Wu, Bruce Edwards, Angela Wandinger-Ness, and Larry Sklar.
    Received: May 18, 2009; Last Update: September 2, 2010.
    • Probe (1) Structure & Characteristics
    • Probe (2) Structure & Characteristics
    • Probe (3) Structure & Characteristics
    • Summary of Recommended Usage and State of the Art of G Protein Activators
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probes
    • 4. Appendices
    • 5. Bibliography
  • Therapeutic Inhibitors of Phosphomannose Isomerase - Probe 2
    Michael Hedrick, Brock Brown, Justin Rascon, Eduard Sergienko, Vandana Sharma, Bobby Ng, Mie Ichikawa, Hudson Freeze, Derek Stonich, Ying Su, Shakeela Dad, Thomas DY Chung, Russell Dahl, and Nick Cosford.
    Received: May 17, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Placental Alkaline Phosphatase (PLAP) Luminescent HTS assay - Probe 2
    Marion Lanier, John Cashman, Eduard Sergienko, Xochella Garcia, Brock Brown, Justin Rascon, Sonoko Narisawa, Ana Maria Simao, José Luis Millán, Derek Stonich, Ying Su, Russell Dahl, and Thomas DY Chung.
    Received: May 16, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Bibliography
  • Probe Report for NOX1 Inhibitors
    SJ Brown, D Gianni, G Bokoch, BA Mercer, P Hodder, and HR Rosen.
    Received: April 23, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Therapeutic Inhibitors of Phosphomannose Isomerase - Probe 1
    Michael Hedrick, Brock Brown, Justin Rascon, Eduard Sergienko, Vandana Sharma, Bobby Ng, Mie Ichikawa, Hudson Freeze, Derek Stonich, Ying Su, Thomas DY Chung, Russell Dahl, and Nick Cosford.
    Received: April 21, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • HTS identification of compounds activating TNAP at an intermediate concentration of phosphate acceptor detected in luminescent assay
    Xochella Chan, Brock Brown, Michael Hedrick, Justin Rascon, José Luis Millán, Eduard Sergienko, Greg Roth, Santhi Reddy, Shakeela Dad, Thomas DY Chung, Nicholas Cosford, Derek Stonich, and Ying Su.
    Received: April 21, 2009; Last Update: September 2, 2010.
    • Probes Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • The Role of PHOSPHO1 in the Initiation of Skeletal Calcification
    Dereck Stonich, Ying Su, Shakeela Dad, Santhi Reddy, Yalda Mostofi, Dahl Russell, Thomas DY Chung, Nicholas Michael Hedrick, Justin Rascon, Xochella Garcia, Eduard Sergienko, José Luis Millán, Derek Stonich, and Nicholas Cosford.
    Received: April 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Placental Alkaline Phosphatase (PLAP) Luminescent HTS assay - Probe 1
    Eduard Sergienko, Xochella Garcia, Brock Brown, Justin Rascon, Sonoko Narisawa, Ana Maria Simao, José Luis Millán, Derek Stonich, Ying Su, Pasha Khan, Greg Roth, Layton Smith, Shakeela Dad, Thomas DY Chung, and Nicholas DP Cosford.
    Received: April 18, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Identification of lipid storage modulators
    Mathias Beller, Craig Thomas, Min Shen, and Douglas Auld.
    Received: April 16, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • Assay Implementation and Screening
    • Probe Characterization
    • Probe
    • Compound preparation
    • Bibliography
  • Identification of activators for the M2 isoform of human pyruvate kinase
    Douglas Auld, Min Shen, Amanda P Skoumbourdis, Jian-kang Jiang, Matthew Boxer, Noel Southall, James Inglese, and Craig Thomas.
    Received: April 16, 2009; Last Update: August 6, 2010.
    • Probe Structure and Characteristics
    • Recommendations for the scientific use of these probes
    • Assay Implementation and Screening
    • Known probe properties
    • Bibliography
  • Probe Report for RBBP9 Inhibitors - Probe 1
    SJ Brown, DA Bachovchin, BF Cravatt, V Fernandez-Vega, T Spicer, BA Mercer, P Hodder, and HR Rosen.
    Received: March 13, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Probe Report for P97/cdc48 Inhibitors
    SJ Brown, T-F Chou, R Deshaies, E Roberts, M Guerrero, D Minond, BA Mercer, P Hodder, and HR Rosen.
    Received: March 6, 2009; Last Update: August 6, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Identification of Functionally Selective Small Molecule Antagonists of the Neuropeptide-S Receptor: Naphthopyranopyrimidines
    Juan Marugan, Ke Liu, Wei Zheng, Robert Eskay, Noel Southall, Markus Heilig, James Inglese, and Christopher Austin.
    Received: February 13, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Discovery of a Highly Selective KCC2 Antagonist
    Craig Lindsley, Michelle Lewis, Dave Weaver, and Eric Delpire.
    Received: February 1, 2009; Last Update: October 4, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • PubChem Primary Assay Description
    • Bibliography
  • Inhibitors of Protein Folding: DnaK
    J Cellitti, Z Zhang, S Wang, B Wu, D Guiney, and M Pellecchia.
    Received: January 15, 2009; Last Update: September 2, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
  • Probe Report for NPY-Y2 Receptor Antagonists
    SA Saldanha, SP Brothers, T Spicer, M Cameron, BA Mercer, P Chase, P McDonald, C Wahlestedt, and PS Hodder.
    Received: January 13, 2009; Last Update: August 6, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • 1. Scientific Rationale for Project
    • 2. Project Description
    • 3. Probe
    • 4. Appendices
    • 5. Bibliography
    • Brain Penetrance Data
  • Discovery of a Highly Selective in vitro and in vivo M1 Allosteric Agonist Probe
    Craig Lindsley, Michelle Lewis, and Dave Weaver.
    Received: December 3, 2008; Last Update: October 4, 2010.
    • Probe Structure & Characteristics
    • Recommendations for the scientific use of this probe
    • PubChem Primary Assay Description
    • Probe Chemical Lead Optimization Strategy
    • Bibliography