MONTH / YEAR TITLE REFERENCE AUTHORS COMPOUND NAME CHEMBRIDGE ID
August-09 Small-Molecule Multidrug Resistance–Associated Protein 1 Inhibitor Reversan Increases the Therapeutic Index of Chemotherapy in Mouse Models of Neuroblastoma Cancer Research 69 (16), 6573-80, 2009 Catherine A. Burkhart1, Fujiko Watt3, Jayne Murray3, Marina Pajic3, Anatoly Prokvolit2,4, Chengyuan Xue3, Claudia Flemming3, Janice Smith3, Andrei Purmal1, Nadezhda Isachenko2,4, Pavel G. Komarov1, Katerina V. Gurova2, Alan C. Sartorelli5, Glenn M. Marshall3, Murray D. Norris3, Andrei V. Gudkov1,2,4 and Michelle Haber3    
July-09 Attenuation of mechanical hypersensitivity by an antagonist of the TRPA1 ion channel in diabetic animals. Anesthesiology, July 1, 2009; 111(1): 147-54.  H Wei, MM Hamalainen, M Saarnilehto, A Koivisto, and A Pertovaara CHEM 5861528
July-09 Chemical Genetic Profiling and Characterization of
Small-molecule Compounds That Affect the Biosynthesis of
Unsaturated Fatty Acids in Candida albicans
THE JOURNAL OF BIOLOGICAL CHEMISTRY VOL. 284, NO. 29, 19754–19764 Deming Xu‡1, Susan Sillaots‡, John Davison‡, Wenqi Hu‡, Bo Jiang‡, Sarah Kauffman§, Nick Martel‡, Pam Ocampo‡,
Chanseok Oh¶, Steve Trosok‡, Karynn Veillette‡, Hao Wang‡, Minghui Yang‡, Li Zhang‡, Jeffrey Becker§,
Charles E. Martin¶, and Terry Roemer‡ 
ECC120        ECC145          ECC146         ECC003          ECC140        ECC190        ECC188         ECC136 5404696  5404697   5404698    .               .              6632243   6074345
July-09 wwLigCSRre: a 3D ligand-based server for hit identification and optimization Nucleic Acids Research, 2009, 37, W504-W509 (web server issue) O. Sperandio1,2, M. Petitjean3 and P. Tuffery1,4,*    
June-09 Inhibition of Furin/Proprotein convertase-catalyzed surface and itracellular processing by small molecules JBC, 284(23), 15729-15738, (2009) T. Komiyama, J.M. Coppola, M.J. Larsen, M.E. Van Dort, B.D. Ross, R. Day, A. Rehemtulla & R.S. Fuller B1                     B2                    B6                    B7 .               .                  5472583    5527669
June-09 Sorting in early endosomes reveals connections to docking- and fusion-associated factors PNAS, 106(24), 9697*9702, 2009 S.V. Barysch, S. Aggarwal, R. Jahn & S.O. Rizzoli Dynasore  
June-09 High-Quality Cost-Effective Compound Management Support for HTS Journal of Biomolecular Screening, Vol. 14, No. 5, 509-514 (2009)
Maximiliano Zaragoza-Sundqvist, Hans Eriksson, Mattias Rohman & Peter J. Greasley
   
June-09 Novel benzylidene-thiazolidine-2,4-diones inhibit Pim protein kinase activity and induce cell cycle arrest in leukemia and prostate cancer cells  Mol Cancer Ther June 1, 2009, 8, 1473  Zanna Beharry1, Marina Zemskova2, Sandeep Mahajan3, Fengxue Zhang2, Jian Ma4, Zuping Xia1, Michael Lilly6,7, Charles D. Smith1,5 and Andrew S. Kraft5 1a                     3a                     10a                     18a                   20a                    21a                   23a                     24a 5377712   5721666   5377792     5378142               5265182       5376968       5260028       5363403
June-09 Identification and Biochemical Characterization of Small-Molecule Inhibitors of Clostridium botulinum Neurotoxin Serotype A.
Antimicrob. Agents Chemother., June 15, 2009 Virginia Roxas-Duncan, Istvan Enyedy, Vicki A Montgomery, Vanessa S Eccard, Marco A Carrington, Huiguo Lai, Nizamettin Gul, David C H Yang, and Leonard A Smith   7967495   7969312 7968218
June-09 2-phenylacetylenesulfonamide (PAS) induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia (CLL) cells. Blood, 10 June 2009, 10.1182/blood-2008-11-190587 Andrew J. Steele, Archibald G. Prentice, A. Victor Hoffbrand, Birunthini C.
Yogashangary, Stephen M. Hart, Mark W. Lowdell, Edward R. Samuel, Janet M.
North, Elisabeth P. Nacheva, Anastasios Chanalaris, Panagiotis Kottaridis, Kate Cwynarski, and R. Gitendra Wickremasinghe
Pifithrin-mu (PAS) 5147472
June-09 Dynasore, a Dynamin Inhibitor, Induces PAI-1 Expression in MeT-5A Human Pleural Mesothelial Cells
Am. J. Respir. Cell Mol. Biol., Jun 2009; 40: 692 - 700. Chi-Li Chung, Joen-Rong Sheu, Hsiang-Erh Liu, Shi-Chuan Chang, Yung-Chen Chou, Wei-Lin Chen, Duen-Suey Chou, and George Hsiao
Dynasore 5105472
May-09 CD36-mediated cholesterol efflux is associated with PPAR activation via a MAPK-dependent COX-2 pathway in macrophages Cardiovascular Research, doi:10.1093/cvr/cvp118  Kim Bujold1, David Rhainds1,, Christian Jossart1, Maria Febbraio3, Sylvie Marleau1 and Huy Ong1,2,*  BLT-1 5234221
May-09 TRPA1 in Mast Cell Activation-induced Long-lasting Mechanical Hypersensitivity of Vagal Afferent C fibers in Guinea Pig Esophagus. Am J Physiol Gastrointest Liver Physiol, May 7, 2009 Shaoyong Yu, Guofeng Gao, Blaise Z Peterson, and Ann Ouyang
   
May-09 HIGH THROUGHPUT SCREENING FOR WNT/BETA-CATENIN SIGNALING INHIBITORS (AN ORAL PRESENTATION) Annals of Oncology 20 (Supplement 3):iii-22,2009, O29 W. Lu, J.D. Greenwood, C. Maddox, L. Reddy, S. McKellip, T. Wang, L. Rasmussen, E.L. White, K. Wennerberg, Y. Li    
May-09 In Vivo Enhancement of Peptide Display by MHC Class II Molecules with Small Molecule Catalysts of Peptide Exchange1 The Journal of Immunology, 2009, 182: 6342–6352 Melissa J. Call,* Xuechao Xing,† Gregory D. Cuny,†‡ Nilufer P. Seth,¶ Daniel M. Altmann, Lars Fugger,# Michelle Krogsgaard,** Ross L. Stein,†‡ and Kai W. Wucherpfennig2*‡§    
May-09 K858, a Novel Inhibitor of Mitotic Kinesin Eg5 and Antitumor Agent, Induces Cell Death in Cancer Cells Cancer Research 69(9), 3901-9, 2009 Ryuichiro Nakai1, Shin-ichi Iida6,7, Takeshi Takahashi2, Tetsuya Tsujita2, Seiho Okamoto2, Chie Takada3, Kazuhito Akasaka1, Shunji Ichikawa2, Hiroyuki Ishida2, Hideaki Kusaka2, Shiro Akinaga5, Chikara Murakata4, Shinobu Honda6, Masayuki Nitta6, Hideyuki Saya6,7 and Yoshinori Yamashita1  Monastrol 5322014
May-09 The Synthetic Elicitor 3,5-Dichloroanthranilic Acid Induces NPR1-Dependent and NPR1-Independent Mechanisms of Disease Resistance in Arabidopsis Plant Physiology, May 2009, Vol. 150, pp. 333–347 Colleen Knoth2, Melinda S. Salus, Thomas Girke, and Thomas Eulgem*    
May-09 Small molecule screen for compounds that affect vascular development in the zebrafish retina  Mechanisms of Development, Volume 126, Issues 5-6, May-June 2009, Pages 464-477 Satish S. Kitambi, Kyle J. McCullocha, Randall T. Peterson and Jarema J. Malickid MCBC
MBC
MCNBC
BBC
EBC
6959525
5175348
5647831
5648195
5175387

NB MBC also has another ID: 5213896 and the structure of EBC is not correct in the paper
April-09 A Novel, Species-specific Class of Uncompetitive Inhibitors of -Glutamyl Transpeptidase* J. Biol. Chem., Vol. 284, Issue 14, 9059-9065, April 3, 2009
 
Jarrod B. King, Matthew B. West, Paul F. Cook, and Marie H. Hanigan1    
April-09 In vivo Imaging of Cutaneous T-Cell Lymphoma Migration to the Skin (Priority Report) Cancer Res 2009;69(7):2704–8 Christoph Hoeller,1,3 Stephen K. Richardson,2 Lai Guan Ng,1,4 Teresa Valero,3 Maria Wysocka,2
Alain H. Rook,2 and Wolfgang Weninger1,4,5
   
March-09 Chemical Probes that Competitively and Selectively Inhibit Stat3 Activation PLoS ONE. 2009;4(3):e4783. Epub 2009 Mar 10. Xu X, Kasembeli MM, Jiang X, Tweardy BJ, Tweardy DJ*. CPD3       CPD30 CPD188   CPD3-2   CPD3-7    CPD30-12 5544745 5667408 7917648 6745560 7682533 7361776
March-09 Corrected structure of mirin, a small-molecule inhibitor of the Mre11–Rad50–Nbs1 complex Nature Chemical Biology 5, 130 (2009) Shaun Peterson, Lily Wang, Kirsten Robertson, Geralda Torchon, Ouathek Ouerfelli & Jean Gautier Mirin 5378247
January-09 Chemical Biology Investigation of Cell Death Pathways Activated by Endoplasmic Reticulum Stress Reveals Cytoprotective Modulators of ASK1* J. Biol. Chem., Vol. 284, Issue 3, 1593-1603, January 16, 2009 InKi Kim, Chih-Wen Shu, Wenjie Xu, Chung-Wai Shiau, Daniel Grant, Stefan Vasile, Nicholas D. P. Cosford, and John C. Reed1  Salubrinal
CID-2891837
CID-2879344
5147990
6239507
5976228
January-09 ERAD inhibitors integrate ER stress with an epigenetic mechanism to activate BH3-only protein NOXA in cancer cells PNAS, Vol 106, 2200-2205, 2009 Qiuyan Wang, Helena Mora-Jensen, Marc A. Weniger, Patricia Perez-Galan, Chris Wolford, Tsonwin Hai, David Ron, Weiping Chen, William Trenkle, Adrian Wiestner, and Yihong Ye Eeyarestatin I 5138427
January-09 Interruption of RNA processing machinery by a small compound, 1-[(4-chlorophenyl)methyl]-1H-indole-3-carboxaldehyde (oncrasin-1) Mol. Cancer Ther. 2009; 8:441-448 Wei Guo, Shuhong Wu, Li Wang, Rui-yu Wang, Xiaoli Wei, Jinsong Liu, and Bingliang Fang Oncrasin-1 5601604
January-09 Macropinocytosis in Shiga toxin 1 uptake by human intestinal epithelial cells and transcellular transcytosis Am J Physiol Gastrointest Liver Physiol 296: G78-G92, 2009 Irina Malyukova1, Karen F. Murray2, Chengru Zhu 3, Edgar Boedeker 3, Anne Kane 4 Kathleen Patterson 5, Jeffrey R. Peterson6, Mark Donowitz1 and Olga Kovbasnjuk1. Pirl-1 5137877
January-09 Role for chlamydial type III secretion apparatus in host cytokine expression  Infection and Immunity, January 2009, p. 76-84, Vol. 77, No. 1 Daniel Prantner and Uma M. Nagarajan*  INP0007 5113023
January-09 Virtual Screening and Biological Characterization of Novel Histone Arginine Methyltransferase PRMT1 Inhibitors ChemMedChem Volume 4, Issue 1, 2009, 69-77 Ralf Heinke 1, Astrid Spannhoff, Dr. 2 3, Rene Meier 1, Patrick Trojer, Dr. 4, Ingo Bauer, Dr. 5, Manfred Jung, Prof. Dr. 2, Wolfgang Sippl, Prof. Dr. 1 * Compound 1
Compound 2
Compound 3
Compound 4 Compound 5
Compound 6
Compound 7 Compound 8
Compound 9
6000016 7112201 7155176 7736382 6689772
7280948
7789734 5784982
5756663
December-08 Discovery and characterization of novel allosteric potentiators of M1 muscarinic receptors reveals multiple modes of activity Mol. Pharmacol. 2009; 75:577-588 Joy E. Marlo 1, Colleen M. Niswender 1*, Emily L. Days 1, Thomas M. Bridges 1, Yun Xiang 1, Alice L. Rodriguez 1, Jana K. Shirey 1, Ashley E. Brady 2, Tasha Nalywajko 1, Qingwei Luo 1, Cheryl A. Austin 1, Michael Baxter Williams 1, Kwangho Kim 1, Richard Williams 1, Darren Orton 1, H. Alex Brown 2, Craig W. Lindsley 3, C. David Weaver 3, P. Jeffrey Conn 2  VU 0029767 5723320
December-08 Double-Stranded RNA-Dependent Protein Kinase (PKR)-Dependent Apoptosis Induction by a Novel Small Compound J. Pharmacol. Exp. Ther. 2009; 328:866-872. Wenxian Hu, Wayne L. Hofstetter, Xiaoli Wei, Wei Guo, Yanbin Zhou, Abujiang Pataer, Hong Li, Bingliang Fang, and Stephen G. Swisher BEPP
BECC
5650622
5660245
November-08 A novel inhibitor of glucose uptake sensitizes cells to FAS-induced cell death Mol Cancer Ther 2008;7(11):3546–55 Tabitha E. Wood1,2, Shadi Dalili1,2, Craig D. Simpson1, Rose Hurren1, Xinliang Mao1, Fernando Suarez Saiz1, Marcela Gronda1, Yanina Eberhard1, Mark D. Minden1, Philip J. Bilan3, Amira Klip3, Robert A. Batey2 and Aaron D. Schimmer1  Fasentin 6094911
November-08 Targeting Type III Secretion in Yersinia pestis Antimicrob. Agents Chemother. 2009; 53:385-392 Ning J. Pan, Michael J. Brady, John M. Leong, and Jon D. Goguen* INP0007 5113023
November-08 The Nociceptor Ion Channel TRPA1 is Potentiated and Inactivated by Permeating Calcium Ions J. Biol. Chem., Vol. 283, Issue 47, 32691-32703 Yuanyuan Wang1,2, Rui B. Chang1,2, Hang N. Waters,1, David D. McKemy1,2, and Emily R. Liman1,2 HC-030031 6106799
November-08 TRPA1 in Bradykinin-induced Mechano-hypersensitivity of Vagal C Fibers in Guinea Pig Esophagus Am J Physiol Gastrointest Liver Physiol 2009; 296:G255-G265 Shaoyong Yu1* and Ann Ouyang2  HC-030031 6106799
October-08 Small-molecule inhibition of HIV-1 Vif Nature Biotechnology 26, 1187 - 1192 (2008) Robin Nathans1, Hong Cao1, Natalia Sharova2, Akbar Ali1, Mark Sharkey2, Ruzena Stranska2, Mario Stevenson2 & Tariq M Rana1,3 RN-18            RN-19            RN-7 6776439 6839806  7023358
October-08 High-Throughput Screening of a 100,000-Compound Library for Inhibitors of Influenza A Virus (H3N2) Journal of Biomolecular Screening, Vol. 13, No. 9, 879-887 (2008)
William E. Severson, Michael McDowell, Subramaniam Ananthan, Dong-Hoon Chung, Lynn Rasmussen, Melinda I. Sosa, E. Lucile White, James Noah and Colleen B. Jonsson 06-046310        06-070333 7404415    7738919
October-08 2-bromopalmitate and 2-(2-Hydroxy-5-nitro-benzylidene)-benzo[b]thiophen-3-one inhibit DHHC-mediated palmitoylation in vitro J. Lipid Res. 2009; 50:233-242 Benjamin C. Jennings, Marissa J. Nadolski, Yiping Ling, Meredith Beckham Baker, Marietta L. Harrison, Robert J. Deschenes, and Maurine E. Linder. Compound I
Compound II
Compound III
Compound V
5269865
5782183
5790443
5657368
October-08 A chemical compound that stimulates the human homologous recombination protein RAD51 PNAS   October 14, 2008   vol. 105   no. 41 15848–15853    Krishanthi Jayathilaka*, Sean D. Sheridan*†, Tyler D. Bold*, Katarzyna Bochenska*, Hillary L. Logan*, Ralph R. Weichselbaum*, Douglas K. Bishop*†‡, and Philip P. Connell*§ RS-1 5253121
October-08 A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication PNAS   October 21, 2008   vol. 105   no. 42   16119–16124 Kiira Ratiaa, Scott Pegana, Jun Takayamab, Katrina Sleemanc, Melissa Coughlind, Surendranath Balijic, Rima Chaudhuria,e, Wentao Fua, Bellur S. Prabhakard, Michael E. Johnsona, Susan C. Bakerc, Arun K. Ghoshb1, and Andrew D. Mesecara1   7724772
October-08 AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening BMC Bioinformatics 2008, 9:438 Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno O Villoutreix, Maria A Miteva    
October-08 HC-030031, a TRPA1 selective antagonist, attenuates inflammatory- and neuropathy-induced mechanical hypersensitivity Molecular Pain 2008, 4:48 Samer R Eid , Eric D Crown , Eric L Moore , Hongyu A Liang , Kar-Chan Choong , Shelley Dima , Darrell A Henze , Stefanie A Kane  and Mark O Urban  HC-030031 6106799
October-08 Identification and characterization of small-molecule inhibitors of hepsin Molecular Cancer Therapeutics 7, 3343-3351, October 1, 2008. John R. Chevillet1,3, Gemma J. Park2, Antonio Bedalov2,4, Julian A. Simon2,5 and Valeri I. Vasioukhin1,6,7  Compound 3
Compound 4
Compound 5
6232890
6071655
5655336
October-08 Identification and Preliminary Characterization of a New Chemical Affecting Glucosyltransferase Activities Involved in Plant Cell Wall Biosynthesis Molecular Plant 2008 1(6):977-989 Olga Zabotinaa,c, Erik Malmb, Georgia Drakakakia, Vincent Buloneb and Natasha Raikhela,1  Compound A 6240780
September-08 Centrally active allosteric potentiators of the M4 muscarinic acetylcholine receptor reverse amphetamine-induced hyperlocomotor activity in rats J. Pharmacol. Exp. Ther. 2008; 327:941-953 Ashley E. Brady 1, Carrie K. Jones 2, Thomas M. Bridges 2, J. Phillip Kennedy 2, Analisa D. Thompson 2, Justin U. Heiman 2, Micah L. Breininger 2, Patrick R. Gentry 2, Huiyong Yin 2, Satyawan B. Jadhav 2, Jana K. Shirey 2, P. Jeffrey Conn 2, Craig W. Lindsley 2*    4003557
September-08 Chemical substructures that enrich for biological activity Bioinformatics. 2008; 24:2518-2525 Justin Klekota and Frederick P. Roth    
September-08 FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects BMC Bioinformatics. 2008; 9: 396 Reviewed by David Lagorce,1 Olivier Sperandio,1 Hervé Galons,2 Maria A Miteva,1 and Bruno O Villoutreix1    
September-08 Host Scavenger Receptor SR-BI Plays a Dual Role in the Establishment of Malaria Parasite Liver Infection Cell Host & Microbe, Volume 4, Issue 3, 271-282, 11 September 2008 Cristina D. Rodrigues1,2,8,Michael Hannus3,8,Miguel Prudêncio1,2,8,Cécilie Martin3,Lígia A. Gonçalves2,Sílvia Portugal1,Sabrina Epiphanio1,Akin Akinc4,Philipp Hadwiger5,Kerstin Jahn-Hofmann5,Ingo Röhl5,Geert-Jan van Gemert6,Jean-François Franetich7,Adrian J.F. Luty6,Robert Sauerwein6,Dominique Mazier7,Victor Koteliansky4,Hans-Peter Vornlocher5,Christophe J. Echeverri3andMaria M. Mota1,2, BLT-1
BLT-2
BLT-4
5234221
5234225
5109586
September-08 ICP34.5-dependent and -independent activities of salubrinal in herpes simplex virus-1 infected cells Virology. 2008 Sep 30;379(2):197-204 Bryant KF, Macari ER, Malik N, Boyce M, Yuan J, Coen DM. Salubrinal 5147990
September-08 Identification of a Small Molecule with Synthetic Lethality for K-Ras and Protein Kinase C Iota Cancer Research 68, 7403-7408, September 15, 2008 Wei Guo1, Shuhong Wu1, Jinsong Liu2 and Bingliang Fang1  Oncrasin-1 5601604
September-08 New auxin analogs with growth-promoting effects in intact plants reveal a chemical strategy to improve hormone delivery PNAS September 30, 2008 vol. 105 no. 39 15190-15195 Sigal Savaldi-Goldstein*,†, Thomas J. Baiga‡, Florence Pojer‡,§, Tsegeye Dabi*, Cristina Butterfield*, Geraint Parry¶, Aaron Santner¶, Nihal Dharmasiri¶,‖, Yi Tao*,**, Mark Estelle¶, Joseph P. Noel‡,††, and Joanne Chory*,††,‡‡  602
533
5265
5353
6027864
5336619
5353053
5265305
September-08 Pmp-Like Proteins Pls1 and Pls2 Are Secreted into the Lumen of the Chlamydia trachomatis Inclusion Infection and Immunity, September 2008, p. 3940-3950, Vol. 76, No. 9 Ine Jorgensen and Raphael H. Valdivia*  C1 5113023
August-08 A TR3/Nur77 Peptide-Based High-Throughput Fluorescence Polarization Screen for Small Molecule Bcl-B Inhibitors Journal of Biomolecular Screening, Vol. 13, No. 7, 665-673 (2008) Yip KW, Godoi PH, Zhai D, Garcia X, Cellitti JF, Cuddy M, Gerlic M, Chen Y, Satterthwait A, Vasile S, Sergienko E, Reed JC BIM-0034173
BIM-0001329
5804000
5954623
August-08 LDLs stimulate p38 mitogen-activated kinases and wound healing through the class B type 1 scavenger receptor independently of Ras and PI3 kinase  Journal of Lipid Research, Vol. 50, 81-89, January 2009 Natasa Bulat, Gérard Waeber, and Christian Widmann  BLT-1 5234221
August-08 Lycopene Absorption in Human Intestinal Cells and in Mice Involves Scavenger Receptor Class B Type I but Not Niemann-Pick C1-Like 1 J. Nutr. 138:1432-1436, August 2008 Myriam Moussa3–5, Jean-François Landrier3–5, Emmanuelle Reboul3–5, Odette Ghiringhelli3–5, Christine Coméra6, Xavier Collet6, Kati Fröhlich7, Volker Böhm7 and Patrick Borel3–5*  BLT-1 5234221
August-08 N-(thiazol-2-yl)-2-thiophene carboxamide derivatives as Abl inhibitors identified by a pharmacophore-based database screening of commercially available compounds Bioorg Med Chem Lett. 2008 Aug 1;18(15):4328-31 Manetti F, Falchi F, Crespan E, Schenone S, Maga G, Botta M. Compound 3
Compound 6
Compound 11
Compound 13
5854919
7917472
7917469
7917459
August-08 Small Molecules Can Selectively Inhibit Ephrin Binding to the EphA4 and EphA2 Receptors J. Biol. Chem., Vol. 283, Issue 43, 29461-29472, October 24, 2008 Roberta Noberinia,b, Mitchell Koolpea, Satyamaheshwar Peddibhotlac, Russell Dahla, Ying Sua, Nicholas D. P. Cosforda, Gregory P. Rothc, and Elena B. Pasqualea,d* Compound 1
Compound 2
5987008
5965041

Compound 1 is also known as NB-2 from a previous publication in 2004
August-08 The effect of particle design on cellular
internalization pathways
PNAS August 19, 2008 vol. 105 no. 33 11613-11618  Stephanie E. A. Gratton*, Patricia A. Ropp*, Patrick D. Pohlhaus*, J. Christopher Luft*, Victoria J. Madden†, Mary E. Napier*, and Joseph M. DeSimone†‡§¶ Dynasore 5105472
July-08 Regulation of CB1 cannabinoid receptor trafficking by the adaptor protein AP-3 The FASEB Journal. 2008;22:2311-2322 Raphael Rozenfeld and Lakshmi A. Devi Dynasore 5105472
July-08 A novel druglike spleen tyrosine kinase binder prevents anaphylactic shock when administered orally J Allergy Clin Immunol. 2008 Jul;122(1):188-94 Mazuc E, Villoutreix BO, Malbec O, Roumier T, Fleury S, Leonetti JP, Dombrowicz D, Daëron M, Martineau P, Dariavach P C-13 6197026
July-08 Discovery, characterization, and antiparkinsonian effect of novel positive allosteric modulators of metabotropic glutamate receptor 4 Mol Pharmacol 74:1345-1358, 2008 Colleen M. Niswender 1*, Kari A. Johnson 2, C. David Weaver 2, Carrie K. Jones 1, Zixiu Xiang 1, Qingwei Luo 1, Alice L. Rodriguez 1, Joy E. Marlo 1, Tomas de Paulis 1, Analisa D. Thompson 1, Emily L. Days 1, Tasha Nalywajko 1, Cheryl A. Austin 1, Michael Baxter Williams 1, Jennifer E. Ayala 1, Richard Williams 1, Craig W. Lindsley 3, P. Jeffrey Conn 4  VU 0003423 7307507
June-08 “Inside-Out” Signaling of Sphingosine-1-Phosphate: Therapeutic Targets Pharmacol. Rev. 2008 60:181-195 KAZUAKI TAKABE, STEVEN W. PAUGH, SHELDON MILSTIEN, AND SARAH SPIEGEL 2-(p-hydroxyanilino)-4-(p-chlorophenyl) thiazole 5663543
June-08 Evidence of Placental Translation Inhibition and Endoplasmic Reticulum Stress in the Etiology of Human Intrauterine Growth Restriction American Journal of Pathology. 2008;173:451-462 Hong-wa Yung*, Stefania Calabrese, Debby Hynx, Brian A. Hemmings, Irene Cetin, D. Stephen Charnock-Jones and Graham J. Burton*  Salubrinal 5147990
June-08 Identification of non-lipid LPA3 antagonists by virtual screening Bioorg Med Chem. 2008 Jun 1;16(11):6207-17 Fells JI, Tsukahara R, Fujiwara Y, Liu J, Perygin DH, Osborne DA, Tigyi G, Parrill AL   5105099
5186303
5226501
6636019
6637041
May-08 Identification of auxins by a chemical genomics approach Journal of Experimental Botany, Vol. 59, No. 10, pp. 2757–2767, 2008 May Christian1, William B. Hannah1, Hartwig Lüthen2 and Alan M. Jones1,*  WH7
WH7A
WH7B
WH7C
WH7E
6156005
6215658
6201133
5530074
6229098
May-08 Inhibitors of bacterial multidrug efflux pumps potentiate antimicrobial photoinactivation  Antimicrobial Agents and Chemotherapy, September 2008, p. 3202-3209, Vol. 52, No. 9 George P Tegos, Kayo Masago, Fatima Aziz, Andrew Higginbotham, Frank R Stermitz, and Michael R. Hamblin*  INF 271 5109586
May-08 Discovery, In Vivo Activity, and Mechanism of Action of a Small-Molecule p53 Activator Cancer Cell, Volume 13, Issue 5, 454-463, 6 May 2008 Sonia Lain1,Jonathan J. Hollick4,Johanna Campbell1,Oliver D. Staples1,Maureen Higgins1,Mustapha Aoubala1,Anna McCarthy1,4,Virginia Appleyard1,Karen E. Murray1,Lee Baker1,Alastair Thompson1,Joanne Mathers1,Stephen J. Holland5,Michael J.R. Stark5,Georgia Pass2,Julie Woods3,David P. Lane6andNicholas J. Westwood4 Tenovin-1 6504104
April-08 Cardiogenic small molecules that enhance myocardial repair by stem cells PNAS   April 22, 2008   vol. 105   no. 16   6063–6068 Hesham Sadek*, Britta Hannack*, Elizabeth Choe*, Jessica Wang*, Shuaib Latif*, Mary G. Garry*, Daniel J. Garry*, Jamie Longgood†, Doug E. Frantz†, Eric N. Olson‡, Jenny Hsieh‡, and Jay W. Schneider*§ SHZ-1 5560932
April-08 Single Particle Characterization of Iron-induced Pore-forming -Synuclein Oligomers J. Biol. Chem., Vol. 283, Issue 16, 10992-11003, April 18, 2008 Marcus Kostka12, Tobias Högen1, Karin M. Danzer1, Johannes Levin¶, Matthias Habeck, Andreas Wirth||, Richard Wagner**, Charles G. Glabe, Sabine Finger, Udo Heinzelmann, Patrick Garidel, Wenzhen Duan, Christopher A. Ross, Hans Kretzschmar, and Armin Giese3  293G02
301C09
307F06
305E04
5260186
5286810
5323932
5315106
April-08 Small-molecule RETRA suppresses mutant p53-bearing cancer cells through a p73-dependent salvage pathway PNAS   April 29, 2008   vol. 105   no. 17 6302-6307 J. E. Kravchenko*†, G. V. Ilyinskaya*†‡, P. G. Komarov§¶, L. S. Agapova*‡, D. V. Kochetkov*†, E. Strom§¶, E. I. Frolova , I. Kovriga , A. V. Gudkov*,**, E. Feinstein§, and P. M. Chumakov*†,†† RETRA 5493343
April-08 Changes in PSAC Reduce Leupeptin Uptake and Can Confer Drug Resistance in P. falciparum-Infected Erythrocytes Antimicrob. Agents Chemother. 28 April 2008, 10, 1128 Godfrey Lisk1, Margaret Pain1, Ilya Y. Gluzman3, Shivkumar Kambhampati1, Tetsuya Furuya1, Xin-zhuan Su1, Michael P. Fay2, Daniel E. Goldberg3, and Sanjay A. Desai1* NPF-1 6574929
April-08 Identification of a Novel Retinoid by Small Molecule Screening with Zebrafish Embryos PLoS ONE 1 April 2008, Volume 3, Issue 4, e1947 Chetana Sachidanandan, Jing-Ruey J. Yeh, Quinn P. Peterson, Randall T. Peterson* DTAB 5133623
April-08 MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening BMC Bioinformatics. 2008; 9: 184. Nicolas Sauton,1 David Lagorce,1 Bruno O Villoutreix,1 and Maria A Miteva1    
March-08 A small-molecule inhibitor of Tcf/β-catenin signaling down-regulates PPAR and PPAR activities Molecular Cancer Therapeutics 7, 521-529, March 1, 2008 Shlomo Handeli and Julian A. Simon  FH535
FH525
unknown
FH610
FH614
5351170
5253512
5211152
6107659
6142955
March-08 Inhibition of p97-dependent Protein Degradation by Eeyarestatin I J. Biol. Chem., Vol. 283, Issue 12, 7445-7454, March 21, 2008 Qiuyan Wang, Lianyun Li, and Yihong Ye1  Eeyarestatin I 5138427
March-08 Synthetic Lethal Screening Identifies Compounds Activating Iron-Dependent, Nonapoptotic Cell Death in Oncogenic-RAS-Harboring Cancer Cells Chemistry & Biology, Volume 15, Issue 3, 234-245, 21 March 2008 Wan Seok Yang1andBrent R. Stockwell1,2, RSL5 5707885
March-08 Thiobarbiturates as Sirtuin Inhibitors: Virtual Screening,
Free-Energy Calculations, and Biological Testing
ChemMedChem 2008, 3, 1–13 (not final citation) Urszula Uciechowska,[a] Jçrg Schemies,[b] Robert C. Neugebauer,[b] Elisabeth-Maria Huda,[b]
Martin L. Schmitt,[b] Rene Meier,[a] Eric Verdin,[c] Manfred Jung,[b] and Wolfgang Sippl*[a]
Compound 7 Compound 8 Compound 9 Compound 10 Compound 11 6958028 6988938 5327543 5549466 5240507
February-08 Inhibition of human parainfluenza virus type 3 infection by novel small molecules Antiviral Res. 2008 Feb;77(2):83-94 Mao H, Thakur CS, Chattopadhyay S, Silverman RH, Gudkov A, Banerjee AK C5
C7
5855229
5857852
February-08 Structure–Activity Studies on Splitomicin Derivatives as Sirtuin Inhibitors and Computational Prediction of Binding Mode J. Med. Chem. 2008, 51, 1203–1213 Robert C. Neugebauer,† Urszula Uchiechowska,‡ Rene Meier,‡ Henning Hruby,† Vassil Valkov,† Eric Verdin,§ Wolfgang Sippl,‡ and Manfred Jung*,† Compound 11a
Compound 11b
Compound 11c
Compound 11d
5607701
7290417
7265524
6437473
February-08 Virtual screening approaches for the identification of non-lipid autotaxin inhibitors Bioorg Med Chem. 2008 Feb 15;16(4):1784-95 Parrill AL, Echols U, Nguyen T, Pham TC, Hoeglund A, Baker DL   7905958
January-08 A pharmacoproteomic approach implicates eukaryotic elongation factor 2 kinase in ER stress-induced cell death Cell Death and Differentiation (2008) 15, 589–599 M Boyce1,5, B F Py1, A G Ryazanov2, J S Minden3, K Long4, D Ma4 and J Yuan1 Salubrinal 5147990
January-08 Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase Inhibitors J. Chem. Inf. Model. 2008, 48, 157-165 Matthieu Montes,†,‡,§ Emmanuelle Braud,†,‡,§ Maria A. Miteva,‡,§ Mary-Lore`ne Goddard,‡,§ Odile Monde´sert,| Ste´phanie Kolb,‡,§ Marie-Priscille Brun,‡,§ Bernard Ducommun,| Christiane Garbay,‡,§ and Bruno O. Villoutreix*,‡,§ Compound 1
Compound 2
Compound 3
Compound 4
Compound 5
5666005
6017246
7007260
7980118
5673755
January-08 Identification of cellular pathways affected by Sortin2, a synthetic compound that affects protein targeting to the vacuole in Saccharomyces cerevisiae BMC Chemical Biology 2008, 8:1 Lorena Norambuena* 1,3 , Jan Zouhar* 2,3 , Glenn R Hicks3  and Natasha V Raikhel3 Sorttin 2 6239069
January-08 Mechanism of Inhibition of HIV-1 Reverse Transcriptase by the Novel Broad-Range DNA Polymerase Inhibitor N-{2-[4-(Aminosulfonyl)phenyl]ethyl}-2-(2-thienyl)acetamide Biochemistry 2008, 47 (1), 490-502 Alon Herschhorn, Iris Oz-Gleenberg, and Amnon Hizi* NAPETA
MDBACEC
6613838
7840607
January-08 Use of dynasore, the small molecule inhibitor of dynamin, in the regulation of endocytosis Methods Enzymol. 2008;438:77-93 Kirchhausen T, Macia E, Pelish HE Dynasore 5105472
December-07 An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission Nature Chemical Biology 4, 42 - 50 (2007)  Jana K Shirey1,5, Zixiu Xiang1,5, Darren Orton2,3, Ashley E Brady1, Kari A Johnson1, Richard Williams2,3, Jennifer E Ayala1, Alice L Rodriguez1,2, Jürgen Wess4, David Weaver1,2, Colleen M Niswender1,2 & P Jeffrey Conn1,2 Compound 12
Compound 15
Compound 16
(from Fig 1a)
7904200
7911703
7912361
December-07 Novel Antiviral Agents Targeting HIV Entry and Transmission* VIROLOGICA SINICA, December 2007, 22 (6):451-461 Qinxue Hu1.2** and Robin Shattock1 NBD-556
NBD-557
5849968
5857355
December-07 Arabidopsis P-Glycoprotein19 Participates in the Inhibition of Gravitropism by Gravacin Chemistry & Biology, Volume 14, Issue 12, 26 December 2007, Pages 1366-1376 Marcela Rojas-Pierce, Boosaree Titapiwatanakun, Eun Ju Sohn, Fang Fang, Cynthia K. Larive, Joshua Blakeslee, Yan Cheng, Sean Cuttler, Wendy A. Peer, Angus S. Murphy, Natasha V. Raikhel Gravacin 5850247
December-07 BLT-1, a specific inhibitor of the HDL receptor SR-BI, induces a copper-dependent phenotype during zebrafish development Toxicol Lett. 2007 Dec 10;175(1-3), 1-7 Raldúa D, Babin PJ BLT-1 5234221
December-07 Necrostatin-1 protects against glutamate-induced glutathione depletion and caspase-independent cell death in HT-22 cells J Neurochem. 2007 Dec;103(5):2004-14 Xu X, Chua CC, Kong J, Kostrzewa RM, Kumaraguru U, Hamdy RC, Chua BH. Necrostatin-1 5115808
December-07 Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop adaptability in selective inhibition of bacterial enzymes BMC Struct Biol. 2007; 7: 84 Ze-Qiang Ma,1 Sheng-Xue Xie,1 Qing-Qing Huang,2 Fa-Jun Nan,2 Thomas D Hurley,3 and Qi-Zhuang Ye1,3 Compound 1
Compound 2
Compound 3
Compound 6
Compound 7
6025190
6009336
6281056
6108575
6029521
November-07 Chemical genetic interrogation of natural variation uncovers a molecule that is glycoactivated Nature Chemical Biology 3, 716-721 (2007)  Yang Zhao1, Tszfung F Chow1, Rachel S Puckrin1, Simon E Alfred1, Albert K Korir2, Cynthia K Larive2 & Sean R Cutler3 Hypostatin
Chuboxypyr
Pyrabactin B
5568575
5472086
5656942
November-07 Dorsomorphin inhibits BMP signals required for embryogenesis and iron metabolism Nature Chemical Biology 4, 33 - 41 (2007)  Paul B Yu1,2,6, Charles C Hong1,5,6, Chetana Sachidanandan1,6, Jodie L Babitt3, Donna Y Deng1, Stefan A Hoyng1, Herbert Y Lin3, Kenneth D Bloch1,4 & Randall T Peterson1,2    
October-07 Non-carbohydrate inhibitors of Lectin DC-Sign JACS, 129(42), 12780-12785, 2007 M.J. Borrok & L.L. Kiessling 7 5841572
October-07 Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis J. Med. Chem. 2007, 50, 5735-5742 Min Huang,‡ Sheng-Xue Xie,‡ Ze-Qiang Ma,‡ Qing-Qing Huang,§ Fa-Jun Nan,§ and Qi-Zhuang Ye*,‡,| Compound 1
Compound 3
6025190
5730590
October-07 Inhibitors of Ubiquitin-Activating Enzyme (E1), a New Class of Potential Cancer Therapeutics Cancer Res 2007; 67: (19). October 1, 9472 Yili Yang,1 Jirouta Kitagaki,1 Ren-Ming Dai,2 Yien Che Tsai,1 Kevin L. Lorick,1 Robert L. Ludwig,4 Shervon A. Pierre,1 Jane P. Jensen,1 Ilia V. Davydov,5 Pankaj Oberoi,5 Chou-Chi H. Li,2 John H. Kenten,5 John A. Beutler,3 Karen H. Vousden,4 and Allan M. Weissman PYR-41
PYR-495
PYR-19
5631437
5535902
5562254
September-07 Small molecules not direct activators of caspases NATURE CHEMICAL BIOLOGY VOLUME 3 NUMBER 9 SEPTEMBER 2007 Jean-Bernard Denault1, Marcin Drag1, Guy S Salvesen1, Juliano Alves2, Analeah B Heidt2, Quinn Deveraux2 & Jennifer L Harris2 PAC-1 5851625
August-07 Identification of novel chemical inhibitors for ubiquitin C-terminal hydrolase-L3 by virtual screening Bioorganic & Medicinal Chemistry 15 (2007) 6810–6818 Kazunori Hirayama,a,b Shunsuke Aoki,b,* Kaori Nishikawa,b Takashi Matsumotoa and Keiji Wada,b Compound 1
Compound 6
Compound 7
7504601
6237842
6771097
August-07 Linking SIRT2 to Parkinson’s Disease ACS CHEMICAL BIOLOGY, 2, No 8, 529 Adam L. Garske†,§, Brian C. Smith†,§, and John M. Denu‡,* B2
AGK2
AK-1
6133799
5857140
6642056
August-07 Necrostatin: a potentially novel cardioprotective agent? Cardiovasc Drugs Ther. 2007 Aug;21(4):227-33 Smith CC, Davidson SM, Lim SY, Simpkin JC, Hothersall JS, Yellon DM Necrostatin-1 5115808
July-07 Novel antagonists of the thioesterase domain of human fatty acid synthase Mol Cancer Ther;6(7). July 2007 2120 Robyn D. Richardson and Jeffrey W. Smith Compound 1
Compound 2
Compound 3
Compound 4
(from Table 2)
6904884
6320820
5993555
5989330
July-07 Sirtuin 2 Inhibitors Rescue a-Synuclein–Mediated Toxicity in Models of Parkinson’s Disease Science 27 JULY 2007 VOL 317 516 - 519 Tiago Fleming Outeiro,1,2 Eirene Kontopoulos,3* Stephen M. Altmann,2* Irina Kufareva,4 Katherine E. Strathearn,5 Allison M. Amore,2 Catherine B. Volk,5 Michele M. Maxwell, 2 Jean-Christophe Rochet,5 Pamela J. McLean,1,2 Anne B. Young,2 Ruben Abagyan,4 Mel B. Feany,3 Bradley T. Hyman,1,2 Aleksey G. Kazantsev2† AGK2
AK-1
5857140
6642056
July-07 Inhibition of Type III Secretion in Salmonella enterica Serovar Typhimurium by Small-Molecule Inhibitors  Antimicrob Agents Chemother. 2007; 51(7): 2631–2635.  Debra L. Hudson,1† Abigail N. Layton,1† Terry R. Field,1 Alison J. Bowen,1 Hans Wolf-Watz,2 Mikael Elofsson,3 Mark P. Stevens,1 and Edouard E. Galyov1* INP0007 5113023
June-07 Small molecules enhance autophagy and reduce toxicity in Huntingdon's disease models Nat Chem Biol, 3(6), 331-338 (2007) S. Sarkar, E.O. Perlstein, S. Imarisio, S. Pineau, A. Cordenier, R.L. Maglathlin, J.A. Webster, T.A.Lewis, C.J. O'Kane, S.L. Schreiber & D.C. Rubinszstein    
June-07 Discovery of a Highly Active Ligand of Human Pregnane X Receptor: A Case Study from Pharmacophore Modeling and Virtual Screening to “In Vivo” Biological Activity MOLECULAR PHARMACOLOGY Vol. 72, No. 3, 2007 Geraldine Lemaire, Cindy Benod, Virginie Nahoum, Arnaud Pillon, Anne-Marie Boussioux, Jean-Franc¸ois Guichou, Guy Subra, Jean-Marc Pascussi, William Bourguet, Alain Chavanieu, and Patrick Balaguer CB2BA-4
CB2BA-5
CB2BA-6
CB2BA-7
CB2BA-8
CB2BA-10
CB2BA-13
CB2BA-248
CB2BA-251
NB in the paper both C2BA-248 & CB2A-251 have the same structure
7896130
7754300
7931751
7960156
7902591
7906112
7988475
7976441
June-07 Structure-based discovery of an inhibitor of Arf activation by Sec7 domains through targeting of protein–protein complexes PNAS   June 19, 2007   vol. 104   no. 25 10370-10375 Julien Viaud*†, Mahel Zeghouf‡, He´ le`ne Barelli§, Jean-Christophe Zeeh‡, Andre´ Padilla*†, Bernard Guibert‡, Pierre Chardin§, Catherine A. Royer*†, Jacqueline Cherfils‡¶, and Alain Chavanieu*† LM11 5340426
June-07 The RGS protein inhibitor CCG-4986 is a covalent modifier of the RGS4 Gα-interaction face BBA-Proteins & Proteomics 2007, 1774 (9), 1213-1220. Adam J. Kimple a, Francis S. Willard a, Patrick M. Giguère a, Christopher A. Johnston a, Viorel Mocanu b, David P. Siderovski a,c,⁎ CCG 4986 7003154
June-07 TRPA1 Mediates Formalin-induced Pain PNAS, 104 (33): 13525-13530, 2007 CR McNamara, J Mandel-Brehm, DM Bautista, J Slemens, KL Deranian, M Zhao, NJ Hayward, JA Chong, D Julius, MM Moran, and CM Fanger HC-030031 6106799
June-07 Small-molecule activators of RNase L with broad-spectrum antiviral activity PNAS June 5, 2007  vol. 104 no. 23  9585–9590 Chandar S. Thakur*†, Babal Kant Jha*, Beihua Dong*, Jaydip Das Gupta*, Kenneth M. Silverman*, Hongxia Mao‡, Hiro Sawai§, Akiko O. Nakamura§, Amiya K. Banerjee‡, Andrei Gudkov‡, and Robert H. Silverman*¶   5966451, 6645744, 7023139, 5950331, 6474572, 5142087, 5972155, 5973265, 5947495, 6131864, 6131645, 6131416
April-07 Zinc pyrithione-mediated activation of voltage-gated KCNQ potassium channels rescues epileptogenic mutants Nature Chemical Biology 3, 287 - 296 (2007) Qiaojie Xiong, Haiyan Sun & Min Li    
April-07 eIF2α Phosphorylation Bidirectionally Regulates the Switch from Short- to Long-Term Synaptic Plasticity and Memory  Cell, Volume 129, Issue 1, Pages 195-206  Mauro Costa-Mattioli1,  Delphine Gobert6, Elad Stern7, Karine Gamache2, Rodney Colina1, Claudio Cuello3, Wayne Sossin4, Randal Kaufman8, Jerry Pelletier1, Kobi Rosenblum7, Krešimir Krnjević5, Jean-Claude Lacaille6, Karim Nader2 and Nahum Sonenberg1, Sal003 5147990
March-07 Identification of Anti-prion Compounds as Efficient Inhibitors of Polyglutamine Protein Aggregation in a Zebrafish Model J. Biol. Chem., Vol. 282, Issue 12, 9195-9203, March 23, 2007 Niclas W. Schiffer, Sarah A. Broadley, Thomas Hirschberger, Paul Tavan, Hans A. Kretzschmar¶, Armin Giese¶, Christian Haass||, F. Ulrich Hartl1, and Bettina Schmid||2 313B02 5344362
March-07 Pseudolipasin A Is a Specific Inhibitor for Phospholipase A2 Activity of Pseudomonas aeruginosa Cytotoxin ExoU , Infection and Immunity, March 2007, p. 1089-1098, Vol. 75, No. 3 Vincent T. Lee,1* Stefan Pukatzki,1 Hiromi Sato,4 Eriya Kikawada,2 Anastasia A. Kazimirova,1 Jin Huang,1 Xiaohua Li,3 Jonathan P. Arm,2 Dara W. Frank,4 and Stephen Lory1  Pseudolipasin A 5633885
February-07 Chemical genetic approaches to probing cell death Curr Opin Chem Biol. 2007 Feb;11(1):83-7 Gangadhar NM, Stockwell BR Necrostatin-1 5115808
January-07 Identification of Small-Molecule Inhibitors of RGS4 Using a High-Throughput Flow Cytometry Protein Interaction Assay Mol Pharmacol 71:169–175, 2007 David L. Roman, Jeffery N. Talbot, Rebecca A. Roof, Roger K. Sunahara, John R. Traynor, and Richard R. Neubig CCG 4986 7003154
January-07 Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase European Journal of Medicinal Chemistry 2007, 42, 1102-1108 David Vidal a, Jascha Blobel a, Yolanda Pe´rez a, Michael Thormann b,1, Miquel Pons a,c,* ptp-194 5847860
January-07 Small-Molecule Inhibition of the Interaction between the Translation Initiation Factors eIF4E and eIF4G Cell, Vol 128, 257-267, 26 January 2007 Nathan J. Moerke,1 Huseyin Aktas,2 Han Chen,2 Sonia Cantel,2 Mikhail Y. Reibarkh,1 Amr Fahmy,1 John D. Gross,1,4 Alexei Degterev,3,5 Junying Yuan,3 Michael Chorev,2 Jose A. Halperin,2 and Gerhard Wagner1, 4EGI-1 5154300
November-06 High-throughput screening of small molecules for bioactivity and target identification in Caenorhabditis elegans NATURE PROTOCOLS VOL.1 NO.4 2006 1907 Andrew R Burns1, Trevor C Y Kwok1, Al Howard4, Ed Houston4, Karl Johanson4, Anthony Chan4, Sean R Cutler2, Peter McCourt2,3 & Peter J Roy1,3    
November-06 Initiation of Protein Synthesis by Hepatitis C Virus Is Refractory to Reduced eIF2 GTP Met-tRNAi Met Ternary Complex Availability Molecular Biology of the Cell Vol. 17, 4632–4644, November 2006 Francis Robert,* Lee D. Kapp,† Shakila N. Khan,* Michael G. Acker,† Sarah Kolitz,† Shirin Kazemi,‡ Randal J. Kaufman,§  William C. Merrick,¶ Antonis E. Koromilas,‡ Jon R. Lorsch,† and Jerry Pelletier*# Salubrinal/Sal003 5147990
October-06 Direct observation of individual endogenous protein complexes in situ by proximity ligation Nature Methods - 3, 995 - 1000 (2006)  Ola Soederberg 1, 3, Mats Gullberg1, 3, Malin Jarvius1, 3, Karin Ridderstråle2, Karl-Johan Leuchowius1, Jonas Jarvius1, Kenneth Wester1, Per Hydbring2, Fuad Bahram2, Lars-Gunnar Larsson2 & Ulf Landegren1 10058
10074
5404711
5236925
October-06 Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy NATURE CHEMICAL BIOLOGY VOLUME2 NUMBER10 OCTOBER2006 Karson S Putt1, Grace W Chen2, Jennifer M Pearson2, Joseph S Sandhorst2, Martin S Hoagland3, Jung-Taek Kwon4, Soon-Kyung Hwang4, Hua Jin4, Mona I Churchwell5, Myung-Haing Cho4, Daniel R Doerge5, William G Helferich3 & Paul J Hergenrother1,2 PAC-1 5851625
September-06 Exogenous control of mammalian gene expression via modulation of translational termination NATURE MEDICINE VOLUME 12  NUMBER 9  SEPTEMBER 2006, 1093 George J Murphy, Gustavo Mostoslavsky, Darrell N Kotton & Richard C Mulligan   5744318
7903053
September-06 Small molecules with antimicrobial activity against E. coli and P. aeruginosa identified by high-throughput screening British Journal of Pharmacology (2006) 149, 551–559 R De La Fuente1, N D Sonawane1, D Arumainayagam1 and A S Verkman1    
September-06 Treatment of Chlamydia trachomatis with a small molecule inhibitor of the Yersinia type III secretion system disrupts progression of the chlamydial developmental cycle Mol Microbiol. 2006 September; 61(6): 1543–1555.  K. Wolf, H. J. Betts, B. Chellas-Géry, S. Hower, C. N. Linton, and K. A. Fields* C1
This compound is also known as INP0007 in some publications
5113023
August-06 Thermodynamics of Binding of a Low-Molecular-Weight CD4 Mimetic to HIV-1 gp120  Biochemistry, 45 (36), 10973 -10980, 2006. Arne Schoen, Navid Madani, Jeffrey C. Klein, Amy Hubicki, Danny Ng, Xinzhen Yang, Amos B. Smith, III, Joseph Sodroski, and Ernesto Freire*  NBD-556
NBD-557
5849968
5857355
July-06 Discovery and characterization of inhibitors of human palmitoyl acyltransferases Mol Cancer Ther 2006; 5(7): 1647–59 Charles E. Ducker,1 Lindsay K. Griffel,2 Ryan A. Smith,2 Staci N. Keller,1 Yan Zhuang,1 Zuping Xia,3 John D. Diller,4 and Charles D. Smith1,2,3 Compound I
Compound III
Compound V
5269865
5790443
5657368
July-06 Pemphigus vulgaris identifies plakoglobin as key suppressor of c-Myc in the skin The EMBO Journal (2006) 25, 3298–3309 Lina Williamson1, Natalia A Raess1, Reto Caldelari1, Anthony Zakher1, Alain de Bruin1, 4, Horst Posthaus1, Reinhard Bolli2, Thomas Hunziker3, Maja M Suter1 and Eliane J Müller1  MI-1
MI-3
5521700
5404711
July-06 Small Molecule Inhibitor of p53 Binding to Mitochondria Protects Mice from Gamma Radiation Nature Chemical Biology July 2006, 2, 474 E Strom, S Sathe, P Komarov, O Chernova, I Pavlovska, I Shyshynova, D Bosykh, L Burdelya, R Macklis, R Skaliter, E Komarova and A Gudkov Pifithrin-mu 5147472
July-06 Voltage-Gated K+ Channel Block by Catechol Derivatives: Defining Nonselective and Selective Pharmacophores  Journal of Pharmacology And Experimental Therapeutics  319:758-764, 2006 Vicenta Salvador-Recatala, Yonjung Kim, Elena Zaks-Makhina, and Edwin S. Levitan  48F10 5115671
July-06 Identification of novel antimicrobials using a live animal infection model PNAS, 103(27), 2006, 10414-10419 T.I. Moy, A.R. Ball, Z. Anklesaria, G. Casadei, K. Lewis & F.M. Ausubel 1                    2                    3                    4                    5                    6                    7                    8                    9                  10                11                12                  13                     14                         15                 16                   5113013  5117999   5139008   5140317    5142855   5142992   5143237   5146442   5151562   5189005   5200063   5202043   5248942   5253943   5255640   5260504
July-06 Small molecule screening in the zebrafish  Methods. 2006 Jul;39(3):255-61 Murphey RD, Zon LI    
June-06 Dynasore, a Cell-Permeable Inhibitor of Dynamin Developmental Cell 10, 839–850, June, 2006 Eric Macia,1,2,3 Marcelo Ehrlich,1,2,4 Ramiro Massol,1 Emmanuel Boucrot,1 Christian Brunner,1 and Tomas Kirchhausen1,* Dynasore 5105472
June-06 Novel Compound 2-Methyl-2H-pyrazole-3-carboxylic Acid (2-methyl-4-o-tolylazo-phenyl)-amide (CH-223191) Prevents 2,3,7,8-TCDD-Induced Toxicity by Antagonizing the Aryl Hydrocarbon Receptor Mol Pharmacol 69:1871–1878, 2006 Sun-Hee Kim, Ellen C. Henry, Dong-Kyu Kim, Yun-Hee Kim, Kum Joo Shin, Myoung Sook Han, Taehoon G. Lee, Jong-Ku Kang, Thomas A. Gasiewicz, Sung Ho Ryu, and Pann-Ghill Suh CH-223191 5223191
May-06 Identification of TRIO-GEFD1 chemical inhibitors using the yeast exchange assay Biol. Cell, (2006), 98, 511-522 Anne Blangy, Nathalie Bouquier, Cecile Gauthier-Rouviere, Susanne Schmidt, Anne Debant, Jean-Paul Leonetti & Philippe Fort NPPD               PEPD               CPEPD 5133201 5215341  5633007
May-06 A small-molecule screen in C. elegans yields a new calcium channel antagonist Nature 441, 91-95 (4 May 2006)  Trevor C. Y. Kwok1,5, Nicole Ricker1,5, Regina Fraser2, Allen W. Chan4, Andrew Burns1, Elise F. Stanley4, Peter McCourt2,3, Sean R. Cutler2 & Peter J. Roy1,3 Nemadipine-A 5619779
April-06 Antitumor Activity of Sphingosine Kinase Inhibitors THE JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS Vol. 318, No. 2 2006 Kevin J. French, John J. Upson, Staci N. Keller, Yan Zhuang, Jong K. Yun, and Charles D. Smith SKI I
SKI II
5784220
5663543
April-06 Biochemical suppression of small molecule inhibitors: a new strategy to identify inhibitor targets and signaling pathway components Chem Biol. 2006 April; 13(4): 443–452.  Jeffrey R. Peterson,1* Andres M. Lebensohn,2 Henry E. Pelish,3 and Marc W. Kirschner2 Pirl-1 5137877
April-06 Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers Molecular Diversity (2006), 10, 389-403 A. Monge, A. Alban, C. Marot & L. Morin-Allory    
April-06 Structural analysis of metalloform-selective inhibition of methionine aminopeptidase Acta Cryst. (2006). D62, 425-432 S.-X. Xie, W.-J. Huang, Z.-Q. Ma, M. Huang, R. P. Hanzlik and Q.-Z. Ye   6009336
6281056
5659206
March-06 Pharmacological promotion of inclusion formation: a therapeutic approach for Huntington’s and Parkinson’s diseases PNAS March 14, 2006 vol. 103 no. 11 4246-4251  Ruth A. Bodner*, Tiago Fleming Outeiro, Stephen Altmann, Michele M. Maxwell, Stephanie H. Cho*, Bradley T. Hyman, Pamela J. McLean, Anne B. Young, David E. Housman*,, and Aleksey G. Kazantsev,  B2
B5
6133799
6238457
March-06 The Cdc42 inhibitor secramine B prevents cAMP-induced K+ conductance in intestinal epithelial cells Bioochemical pharmacology 71 (2006) 1720 – 1726 Henry E. Pelish a,b, William Ciesla c, Nori Tanaka c, Krishna Reddy c, Matthew D. Shair b, Tomas Kirchhausen a, Wayne I. Lencer c,d,* Pirl-1 5137877
February-06 Leadlikeness and structural diversity of synthetic screening libraries Molecular Diversity (2006) Herman J. Verheij    
February-06 Identification of Small Molecules that Sensitize Resistant Tumor Cells to Tumor Necrosis Factor-Family Death Receptors  Cancer Res 2006; 66(4): 2367-75 Aaron D. Schimmer,1,2,3 Michael P. Thomas,1 Rose Hurren,2 Marcela Gronda,2 Maurizio Pellecchia,1 Gregory R. Pond,2 Marina Konopleva,4 Debbie Gurfinkel,2 Imtiaz A. Mawji,2 Ewan Brown,2 and John C. Reed1
Fasentin
5809354
6094911
January-06 Bile acids induce energy expenditure by promoting intracellular thyroid hormone activation Nature 439, 484-489 (26 January 2006) Mitsuhiro Watanabe1,6, Sander M. Houten1,6, Chikage Mataki1, Marcelo A. Christoffolete2, Brian W. Kim2, Hiroyuki Sato1, Nadia Messaddeq1, John W. Harney2, Osamu Ezaki3, Tatsuhiko Kodama4, Kristina Schoonjans1, Antonio C. Bianco2 & Johan Auwerx1,5 TGR5 agonist 5569653
January-06 Design and Synthesis of 5-Aryl-pyridone-carboxamides as Inhibitors of Anaplastic Lymphoma Kinase J. Med. Chem. 2006, 49, 1006-1015 Rongshi Li,*,† Liquan Xue,‡ Tong Zhu,† Qin Jiang,‡ Xiaoli Cui,‡ Zheng Yan,† Danny McGee,† Jian Wang,† Vidyasagar Reddy Gantla,† Jason C. Pickens,† Doug McGrath,† Alexander Chucholowski,† Stephan W. Morris,*,‡ andThomas R. Webb*,†,|    
December-05 New Class of Competitive Inhibitor of Bacterial Histidine Kinases JOURNAL OF BACTERIOLOGY, Dec. 2005, p. 8196–8200 Vol. 187, No. 23 Raymond Gilmour,1 J. Estelle Foster,1† Qin Sheng,1 Jonathan R. McClain,1 Anna Riley,1 Pei-Ming Sun,1 Wai-Leung Ng,2 Dalai Yan,1‡ Thalia I. Nicas,1 Kenneth Henry,1 and Malcolm E. Winkler2* TEP 5317259
December-05 Small molecules that delay S phase suppress a zebrafish bmyb mutant Nature Chemical Biology 1, 366 - 370 (2005) Howard M Stern Ryan D Murphey Jennifer L Shepard James F Amatruda Christian T Straub Kathleen L Pfaff Gerhard Weber John A Tallarico Randall W King & Leonard I Zon Persynthamide, psy
(this cmpd has 2 CBC IDs)
5110170
5111972
November-05 Inhibition of the Calcineurin-NFAT Interaction by Small Organic Molecules Reflects Binding at an Allosteric Site* THE JOURNAL OF BIOLOGICAL CHEMISTRY VOL. 280, NO. 45, pp. 37698–37706, November 11, 2005 Sunghyun Kang‡§1,2, Huiming Li‡§2, Anjana Rao‡§, and Patrick G. Hogan‡3 INCA1
INCA2
INCA6
INCA12
5169038
5158552
5100275
5133193
November-05 Small molecules that reactivate p53 in renal cell carcinoma reveal a NF- B-dependent mechanism of p53 suppression in tumors PNAS   November 29, 2005   vol. 102   no. 48 17448-17453 Katerina V. Gurova*†‡§, Jason E. Hill*‡¶, Canhui Guo*, Anatoly Prokvolit*, Lyudmila G. Burdelya*, Eugenia Samoylova*, Anna V. Khodyakova*, Ram Ganapathi , Mahrukh Ganapathi , Natalia D. Tararova*, Dmitry Bosykh†, Dmitriy Lvovskiy**, Thomas R. Webb**, George R. Stark*§, and Andrei V. Gudkov*†§ 30d9

NB this cmpd not found in CBC database. Chloro analogue (for OH) number given for ref purposes

5561661
September-05 Identification of N-phenyl-N′-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamides as a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4 Virology, 339, Issue 2, September 2005, 213-225  Qian Zhaoa, Liying Maa, Shibo Jiangb, Hong Lub, Shuwen Liub, Yuxian Heb, Nathan Strickc, Nouri Neamatid and Asim Kumar Debnatha NBD-556
NBD-557
5849968
5857355
September-05 Structure–activity relationship study of novel necroptosis inhibitors Bioorganic & Medicinal Chemistry Letters 15 (2005) 5039–5044 Xin Teng,a Alexei Degterev,b Prakash Jagtap,a Xuechao Xing,a Sungwoon Choi,a Re´gine Denu,a Junying Yuanb and Gregory D. Cunya,* Necrostatin-1 5115807
July-05 Chemical Inhibitor of nonapoptotic cell death with therapeutic potential for ischemic brain injury NATURE CHEMICAL BIOLOGY VOLUME 1 NUMBER 2 JULY 2005 A Degterev, Z Huang, M Boyce, Y Li, P Jagtap, N Mizushima, G Cuny, T Mitchison, MA Moskowitz and J Yuan Necrostatin-1 5115807
July-05 The small chemical vacuolin-1 alters the morphology of lysosomes without inhibiting Ca2+-regulated exocytosis EMBO reports VOL 6, NO 9 , 2005 scientificreport scientific report 843-847 Chau Huynh & NormaW. Andrews+ Vacuolin-1 5114069
June-05 Systematic Identification of Antiprion Drugs by High-Throughput Screening Based on Scanning for Intensely Fluorescent Targets JOURNAL OF VIROLOGY, June 2005, p. 7785–7791 Uwe Bertsch,1 Konstanze F. Winklhofer,2 Thomas Hirschberger,3 Jan Bieschke,1†
Petra Weber,1 F. Ulrich Hartl,2 Paul Tavan,3 Jo¨rg Tatzelt,2
Hans A. Kretzschmar,1 and Armin Giese1*
297F03
305E04
309F02
293G02
5260186
5268118
5315106
5326487
May-05 Targeting Tn5 Transposase Identifies Human Immunodeficiency Virus Type 1 Inhibitors ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, May 2005, p. 2035–2043 Vol. 49, No. 5 Brandon Ason,1† Daniel J. Knauss,2 Allison M. Balke,1 George Merkel,3 Anna Marie Skalka,3 and William S. Reznikoff1* 1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
10-A
10-B
10-C
10-D
10-E
10-F
10-G
6160027
6141194
6140731
6158572
5868253
6075259
5980789
6058083
6229546
6176494
6192779
5546355
5535396
6227564
5233170
5232986
5232985
6046791
6044999
5988232
5789176
6204337
6206397
8065508
6171674
6180772
6215673.
April-05 Malaria Parasites Are Rapidly Killed by Dantrolene Derivatives Specific for the Plasmodial Surface Anion Channel  Mol Pharmacol 68:34-40, 2005 Myungsa Kang, Godfrey Lisk, Stephen Hollingworth, Stephen M. Baylor, and Sanjay A. Desai  NPF-1
NPF-2
6574929
6435597
March-05 The power of chemical genomics to study the link between endomembrane system components and the gravitropic response PNAS 2005, 102 (13), 4902-4907 Marci Surpin *, Marcela Rojas-Pierce *, Clay Carter * , Glenn R. Hicks *, Jacob Vasquez, and Natasha V. Raikhel   Gravacin is 5850247 5403629
5850247
5271050
February-05 A Selective Inhibitor of eIF2a Dephosphorylation Protects Cells from ER Stress SCIENCE VOL 307 11 FEBRUARY 2005 Michael Boyce,1 Kevin F. Bryant,2* Ce´line Jousse,3* Kai Long,4* Heather P. Harding,3 Donalyn Scheuner,5 Randal J. Kaufman,5 Dawei Ma,4 Donald M. Coen,2 David Ron,3 Junying Yuan1. Salubrinal 5147990
February-05 Genetic and chemical analyses of the action mechanisms of sirtinol in Arabidopsis PNAS 2005, 102 (8), 3129-3134 Xinhua Dai *, Ken-ichiro Hayashi , Hiroshi Nozaki , Youfa Cheng *, and Yunde Zhao * Sirtinol 5108474
January-05 A potent small molecule inhibits polyglutamine aggregation in Huntington’s disease neurons and suppresses neurodegeneration in vivo PNAS   January 18, 2005   vol. 102   no. 3  892-7 Xiaoqian Zhang*†, Donna L. Smith†‡, Anatoli B. Meriin*, Sabine Engemann§, Deborah E. Russel¶, Margo Roark ,
Shetia L. Washington , Michele M. Maxwell¶, J. Lawrence Marsh , Leslie Michels Thompson**††, Erich E. Wanker§,
Anne B. Young¶, David E. Housman‡‡, Gillian P. Bates‡, Michael Y. Sherman*, and Aleksey G. Kazantsev¶§§
C2
C2-8
5253122
5210775
January-05 In Vivo Drug Discovery in the Zebrafish Nature Reviews Drug Discovery 2005, 4, 35-44 Leonard I. Zon* and Randall T. Peterson†    
January-05 Identification of mosquito sterol carrier protein-2 inhibitors Journal of Lipid Research Volume 46, 650, 2005 Min-sik Kim, Vilena Wessely, and Que Lan1 SCPI-1
SCPI-5
5935517
6109229
December-04 The CRM1 Nuclear Export Receptor Controls Pathological Cardiac Gene Expression MOLECULAR AND CELLULAR BIOLOGY, Dec. 2004, p. 10636–10649 Brooke C. Harrison, Charles R. Roberts, David B. Hood, Meghan Sweeney, Jody M. Gould, Erik W. Bush, and Timothy A. McKinsey* Compound referenced in: Cancer Cell 4:463–476 5219668
November-04 N-Substituted Pyrrole Derivatives as Novel Human Immunodeficiency Virus Type 1 Entry Inhibitors That Interfere with the gp41 Six-Helix Bundle Formation and Block Virus Fusion Antimicrobial Agents and Chemotherapy, November 2004, p. 4349-4359, Vol. 48, No. 11 Shibo Jiang,* Hong Lu, Shuwen Liu, Qian Zhao, Yuxian He, and Asim K. Debnath  NB-2
NB-64
5987008
6500658
October-04 Identification of inhibitors of auxin transcriptional activation by means of chemical genetics in Arabidopsis PNAS   October 12, 2004   vol. 101   no. 41   14979 Joshua I. Armstrong, Shiaulou Yuan, Joseph M. Dale, Vanessa N. Tanner, and Athanasios Theologis* A
B
C
5820849
5763562
5961295
October-04 Small-Molecule Inhibitor of Vibrio cholerae Virulence and Intestinal Colonization sciencexpress.org / 13 October 2004 / Page 1/ Deborah T. Hung,* Elizabeth A. Shakhnovich, Emily Pierson, John J. Mekalanos Virstatin 5158496
October-04 Metalloform-selective inhibitors of escherichia coli methionine aminopeptidase and X-ray structure of a Mn(II)-form enzyme complexed with an inhibitor J Am Chem Soc. 2004;126:13940–13941 Ye, QZ; Xie, SX; Huang, M; Huang, WJ; Lu, JP; Ma, ZQ    
September-04 Identification of Inhibitors for UDP-Galactopyranose Mutase J. AM. CHEM. SOC. 2004, 126, 10532-10533 (see also…..
J. AM. CHEM. SOC. 2004, 126, 15924 for a structure correction) 
Michelle Soltero-Higgin, Erin E. Carlson, John H. Phillips, and Laura L. Kiessling* Compound 2
Compound 3
Compound 4
6044448
5575573
5847736
September-04 Identification of Novel Small-Molecule Inhibitors of Severe Acute Respiratory Syndrome-Associated Coronavirus by Chemical Genetics Chemistry & Biology, Vol. 11, 1293–1299, September, 2004, Richard Y. Kao,1,* Wayne H.W. Tsui,1 Terri S.W. Lee,1 Julian A. Tanner,2 Rory M. Watt,2 Jian-Dong Huang,2 Lihong Hu,3 Guanhua Chen,3 Zhiwei Chen,4 Linqi Zhang,4 Tian He,4 Kwok-Hung Chan,1 Herman Tse,1 Amanda P.C. To,1 Louisa W.Y. Ng,1 Bonnie C.W. Wong,1 Hoi-Wah Tsoi,1 Dan Yang,3 libraries) David D. Ho,4 and Kwok-Yung Yuen1 MP576
HE602
VE607
5763678
6026920
6075949
August-04 Chemical inhibition of N-WASP by stabilization of a native autoinhibited conformation Nat Struct Mol Biol. 2004 Aug;11(8):747-55 Peterson JR, Bickford LC, Morgan D, Kim AS, Ouerfelli O, Kirschner MW, Rosen MK. Wiskostatin 5236849
August-04 Discovery of a Small Molecule that Inhibits the Interaction of Anthrax Edema Factor with Its Cellular Activator, Calmodulin Chemistry & Biology, Vol. 11, 1139–1146, August, 2004, Young-Sam Lee,1,4 Pamela Bergson,2,3,4
Wei Song He,2 Milan Mrksich,1,*
and Wei-Jen Tang2,3,*
10506-2A 5935999
August-04 Identification of Novel Parasitic Cysteine Protease Inhibitors Using Virtual Screening. 1. The ChemBridge Database Journal of Medicinal Chemistry 2004 Dec 16;47(26):6609-15 Prashant V. Desai,† Akshay Patny,† Yogesh Sabnis,† Babu Tekwani,‡ Jiri Gut,§ Philip Rosenthal,§
Anuradha Srivastava,‡ and Mitchell Avery*,†,‡
   
August-04 Small-molecule-based identification of dynamic assembly of E2F-pocket protein-histone deacetylase complex for telomerase regulation in human cells PNAS 2004 , 101 (31), 11328-11333 Jaejoon Won , Seungwoo Chang , Sangtaek Oh , , and Tae Kook Kim ,   CGK1026 5217444
August-04 The small chemical vacuolin-1 inhibits Ca2+-dependent lysosomal exocytosis but not cell resealing EUROPEAN MOLECULAR BIOLOGY ORGANIZATION (EMBO) reports VOL 5  NO 9 2004 Jan Cerny 1,2, Yan Feng3, Anan Yu1, Katsuya Miyake4, Barbara Borgonovo5, Judith Klumperman6, Jacopo Meldolesi 5, Paul L. McNeil4 & Tomas Kirchhausen1,3+ Vacuolin-1 5114069
June-04 Chemical genetics to identify NFAT inhibitors: Potential of targeting calcium mobilization in immunosuppression PNAS   June 15, 2004   vol. 101   no. 24   8969–8974 Natarajan Venkatesh*, Yan Feng*†, Brian DeDecker†, Patrick Yacono‡, David Golan‡, Timothy Mitchison*†, and Frank McKeon*§ Found 14 interesting cmpds. 5114006
5115555
5115805
5143072
5149521
5190027
5202034
5205327
5211950
5219735
5228195
5232755
5156381
5103885
June-04 Chemical screening by mass spectrometry to identify inhibitors of anthrax lethal factor Nature Biotechnology 2004, 22 (6), 717-723 Min DH; Tang WJ; Mrksich M DS-998 5267209
June-04 Small Molecule Regulators of Protein Arginine Methyltransferases* THE JOURNAL OF BIOLOGICAL CHEMISTRY Vol. 279, No. 23, Issue of June 4, pp. 23892–23899, 2004 Donghang Cheng‡, Neelu Yadav‡, Randall W. King§, Maurice S. Swanson¶, Edward J. Weinstein **, and Mark T. Bedford‡ ‡‡ AMI-1
AMI-2
AMI-3
AMI-5
AMI-6
AMI-7
AMI-8
5255879
5112759
5255910
5122150
5135283
5141951
5175464
June-04 Sorting inhibitors (Sortins): Chemical compounds to study vacuolar sorting in Arabidopsis PNAS   June 22, 2004   vol. 101   no. 25   9497–9501 Jan Zouhar, Glenn R. Hicks, and Natasha V. Raikhel* Sortin 1
Sortin 2
6168516
6239069
June-04 Targeting cell division: Small-molecule inhibitors of FtsZ GTPase perturb cytokinetic ring assembly and induce bacterial lethality PNAS   August 10, 2004   vol. 101   no. 32   11821–11826 Danielle N. Margalit*†, Laura Romberg‡§, Rebecca B. Mets¶ , Alan M. Hebert*, Timothy J. Mitchison*‡**, Marc W. Kirschner*‡**, and Debabrata RayChaudhuri¶†† Z1
Z2
Z3
Z4
5175333
5233705
5175327
5141951
May-04 Induction of S-phase arrest and p21 overexpression by a small molecule 2[[3-(2,3-dichlorophenoxy)propyl] amino]ethanol in correlation with activation of ERK Oncogene (2004) 23, 4984–4992 Hongbo Zhu1,2, Lidong Zhang1,4, Shuhong Wu1,4, Fuminori Teraishi1, John J Davis1,3, Dietmar Jacob1 and Bingliang Fang1,3 2,3-DCPE
2,3-DCEE
5568781
7018362
May-04 Overcoming the gridlock in discovery research Nature Biotechnology  22, 522 - 524 (2004)  Jonathan Margolis & Greg D Plowman GS4012
(this cmpd has 5 CBC Ids depending on salt counterion)
5104010
5104012
5129554
5152061
5152068
April-04 Chemical suppression of a genetic mutation in a zebrafish model of aortic coarctation Nature Biotechnology  22, 595 - 599 (2004) Randall T Peterson1, Stanley Y Shaw1, 2, Travis A Peterson1, David J Milan1, Tao P Zhong1, 3, Stuart L Schreiber2, Calum A MacRae1 & Mark C Fishman1, 4 GS4012
(this cmpd has 5 CBC IDs depending on salt counterion)

GS3999
(this cmpd has 4 CBC IDs depending on salt counterion)
5104010
5104012
5129554
5152061
5152068

5103999
5104016
5152070
5152073
April-04 Cross-inhibition of SR-BI- and ABCA1-mediated cholesterol transport by the small molecules BLT-4 and glyburide Journal of Lipid Research Volume 45, 2004, 1256 Thomas J. F. Nieland,*,†,§ Angeliki Chroni,** Michael L. Fitzgerald, †† Zoltan Maliga, †,§ Vassilis I. Zannis,** Tomas Kirchhausen, † and Monty Krieger1,* BLT-4 5109586
April-04 Dissection of the Dislocation Pathway for Type I Membrane Proteins with a New Small Molecule Inhibitor, Eeyarestatin Molecular Biology of the Cell Vol. 15, 1635–1646, April 2004 Edda Fiebiger,* Christian Hirsch,* Jatin M. Vyas,† Eva Gordon,*‡ Hidde L. Ploegh,*§ and Domenico Tortorella*  Eeyarestatin I
Eeyarestatin II
5138427
5138490
March-04 A small molecular activator of cardiac hypertrophy uncovered in a chemical screen for modifiers of the calcineurin signaling pathway PNAS 2004, 101, 2870-2875 Erik Bush * , Jens Fielitz , Lawrence Melvin *, Michael Martinez-Arnold , Timothy A. McKinsey *, Ryan Plichta *, and Eric N. Olson   PAMH 5720858
March-04 Chemical Genetic Screening Identifies Sulfonamides That Raise Organellar pH and Interfere with Membrane Traffic Traffic 2004; 5: 478–492 Thomas J. F. Nieland1,2, Yan Feng2, Jing Xu Brown3, Tuan Daniel Chuang4, Peter D. Buckett3, Jin Wang5, Xiao-Song Xie5, Timothy E. McGraw4, Tomas Kirchhausen1,2,* and Marianne Wessling-Resnick3,* 6B6 (Exo 1)
15E19 (Exo 2)
16D20
30N12
4F17
16F19
17G7
5150075
5113462
5190839
5175331
5117202
5175496
5111986
February-04 Drug-like Annotation and Duplicate Analysis of a 23-supplier Chemical Database Totalling 2.7 Million Compounds J Chem Inf Comput Sci., 2004 44 643-651 N Baurin, R Baker, C Richardson, I Chen, N Foloppe, A Potter, A Jordan, S Roughley, M Parratt, P Greaney, D Morley and RE Hubbard    
February-04 Induction of Apoptosis and Down-Regulation of Bcl-XL in Cancer Cells by a Novel Small Molecule, 2[[3-(2,3-Dichlorophenoxy)propyl]amino]ethanol  Cancer Research 64, 1110-1113, February 1, 2004 Shuhong Wu1, Hongbo Zhu1, Jian Gu2, Lidong Zhang1, Fuminori Teraishi1, John J. Davis1,3, Dietmar A. Jacob1 and Bingliang Fang1,3  2,3-DCPE
2,3-DCEE
5568781
7018363
January-04 Novel Neuroprotective K+ Channel Inhibitor Identified by High-Throughput Screening in Yeast Mol Pharmacol 65:214-219, 2004 Elena Zaks-Makhina, Yonjung Kim, Elias Aizenman, and Edwin S. Levitan  48F10 5115671
January-04 Cyclohexyl-octahydro-pyrrolo[1,2-a]pyrazine-Based Inhibitors of Human N-Myristoyltransferase-1 THE JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS Vol. 309, No. 1, 340–347, 2004 Kevin J. French,1 Yan Zhuang, Randy S. Schrecengost, Jean E. Copper, Zuping Xia,1 and Charles D. Smith COPP-2:
COPP-15
COPP-19
COPP-24
5782522
5782601
5782553
5782537
December-03 A chemical genetic screen identifies inhibitors of regulated nuclear export of a Forkhead transcription factor in PTEN-deficient tumor cells CANCER CELL : DECEMBER 2003 · 463 Tweeny R. Kau,1,4 Frank Schroeder,6 Shivapriya Ramaswamy,3,5 Cheryl L. Wojciechowski,1,4 Jean J. Zhao,2,4 Thomas M. Roberts,2,4 Jon Clardy,1 William R. Sellers,3,5,* and Pamela A. Silver1,4,* Found 19 interesting cmpds.  The most potent export inhibitor's ID is given 5219668
September-03 Discovery and Evaluation of Inhibitors of Human Sphingosine Kinase CANCER RESEARCH 63, 5962–5969, September 15, 2003 Kevin J. French, Randy S. Schrecengost, Brian D. Lee, Yan Zhuang, Staci N. Smith, Justin L. Eberly, Jong K. Yun, and Charles D. Smith2 Cmpd I
Cmpd II
Cmpd III
Cmpd IV



NB  Cmpd II is now sold by Calbiochem (2008)
5784220
5663543
5679119
5318164
September-03 Solid-Phase Synthesis of Tetrahydro-1,4-benzodiazepine-2-one Derivatives as a beta-Turn Peptidomimetic Library J. Comb. Chem. 2004, 6, 207-213 Isak Im,† Thomas R. Webb,‡ Young-Dae Gong,§ Jae-Il Kim,† and Yong-Chul Kim*,†    
August-03 Application of a Novel Design Paradigm to Generate General Nonpeptide Combinatorial Scaffolds Mimicking Beta Turns: Synthesis of Ligands for Somatostatin Receptors Bioorganic & Medicinal Chemistry (2003) 5059-5068 Dona Chianelli, Yong-Chul Kim, Dmitriy Lvovskiy and Thomas R. Webb    
July-03 Sir2 Regulates Skeletal Muscle Differentiation as a Potential Sensor of the Redox State Molecular Cell, Vol. 12, 51–62, July, 2003, Marcella Fulco,1 R. Louis Schiltz,1 Simona Iezzi,1 M. Todd King,2 Po Zhao,3 Yoshihiro Kashiwaya,2 Eric Hoffman,3 Richard L. Veech,2 and Vittorio Sartorelli1,* Sirtinol
M15
5108474
5104559
May-03 Exo1: A new chemical inhibitor of the exocytic pathway PNAS 2003, 100 (11), 6469 Yan Feng * , Sidney Yu , Troy K. R. Lasell , Ashutosh P. Jadhav * ¶, Eric Macia ¶ ||, Pierre Chardin ||, Paul Melancon , Michael Roth , Timothy Mitchison *, and Tomas Kirchhausen * ¶   Exo1 5150075
May-03 Identification of a Compound That Directly Stimulates Phospholipase C Activity Mol Pharmacol Vol. 63, Issue 5, 1043-1050, May 2003 Yoe-Sik Bae, Taehoon G. Lee, Jun Chul Park, Jung Ho Hur, Youndong Kim, Kyun Heo, Jong-Young Kwak, Pann-Ghill Suh, and Sung Ho Ryu  m-3M3FBS 5152047
May-03 Chemical Genetic Modifier Screens: Small Molecule Trichostatin Suppressors as Probes of Intracellular Histone and Tubulin Acetylation Chemistry & Biology, Vol. 10, 397–410, May, 2003 Kathryn M. Koeller,1,3 Stephen J. Haggarty,1,2,3 Brian D. Perkins,2 Igor Leykin,5 Jason C. Wong,1,3 Ming-Chih J. Kao,5 and Stuart L. Schreiber1,2,3,4,6 ITSA1
ITSA2
ITSA3
ITSA4
ITSA5
nITSA1-A
nITSA1-B
5253409
5233705
5149715
5140203
5248896
5273682
5286656
April-03 Low molecular weight inhibitors of Myc–Max interaction and function Oncogene (2003) 22, 6151–6159 Xiaoying Yin1, Christine Giap1, John S Lazo2,3, Edward V Prochownik*,1,3,4 10009-G9
10050-C10
10058-F4
10074-A4
5561686
5154282
5404711
5236925
April-03 Multiherbicide Tolerance conferred by AtPgp1 and apyrase overexpression in Arabidopsis thaliana Nature Biology Vol 21 April 2003 Brian Windsor, Stanley J Roux and Alan Lloyd NGXT 191 5253067
March-03 Targeting Bacterial Virulence Inhibitors of Type III Secretion in Yersinia  Chemistry & Biology, 10 (2003) 241-249. Anna M. Kauppi1, 3, Roland Nordfelth2, 3, Hanna Uvell2, Hans Wolf-Watz2 and Mikael Elofsson Compound 2
Compound 4

Compound 2 is also known as INP0007 in some publications
5113023
5175374
January-03 Identification of Small-Molecule Inhibitors of Human Angiogenin and Characterization of Their Binding Interactions Guided by Computational Docking Biochemistry 2003, 42, 6674-6687 Jeremy L. Jenkins‡ and Robert Shapiro*,‡,§ C-181431
C-473872
C-467929
5181431
5473872
5467929
January-03 Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin Proteins. 2003 Jan 1;50(1):81-93 Jenkins JL, Kao RY, Shapiro R.    
December-02 Thiazolidinone CFTR inhibitor identified by high-throughput screening blocks cholera toxin–induced intestinal fluid secretion J. Clin. Invest. 110(11): 1651-1658 (2002). Tonghui Ma1, Jay R. Thiagarajah1, Hong Yang1, Nitin D. Sonawane1, Chiara Folli2, Luis J.V. Galietta2 and A.S. Verkman1  CFTRinh-172 6078358
November-02 Automated Colorimetric Screen for Apyrase Inhibitors BioTechniques 33:1024-1030 2002 J.B. Windsor, C. Thomas, L. Hurley1, S.J. Roux, and A.M. Lloyd NGXT 195
NGXT 199
NGXT 1913
5113723
5210410
5211072
November-02 Discovery of chemical inhibitors of the selective transfer of lipids mediated by the HDL receptor SR-BI PNAS   November 26, 2002   vol. 99   no. 24 15422-15427 Thomas J. F. Nieland*†, Marsha Penman†, Limor Dori†, Monty Krieger†‡§, and Tomas Kirchhausen*‡§ BLT-1
BLT-2
BLT-3
BLT-4
BLT-5
5234221
5234225
5106931
5109586
5117098
November-02 Quinazolines as Adenosine Receptor Antagonists: SAR and Selectivity for A2B Receptors Bioorganic & Medicinal Chemistry 11 (2003) 77-85 TR Webb, D Lvovskiy, S-A Kim, W-d Ji, N Melman, J Linden and KA Jacobson CMB 6446 5306446
October-02 High-affinity Activators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Chloride Conductance Identified by High-throughput Screening The Journal of Biological Chemistry 2002 , 277 (40), 37235-37241 Tonghui Ma, L. Vetrivel, Hong Yang, Nicoletta Pedemonte§, Olga Zegarra-Moran§, Luis J. V. Galietta§, and A. S. Verkman¶  CFTact-02
CFTact-04
CFTact-06
CFTact-07
CFTact-08
CFTact-09
CFTact-11
CFTact-12
CFTact-13
CFTact-15
CFTact-16
CFTact-17
6042112
5738519
5972686
5936587
5773709
6043758
5101039
6142416
5218287
5966451
6143156
5312649
October-02 Small molecule modulation of Smoothened activity PNAS October 29, 2002 vol. 99 no. 22 14071-14076  James K. Chen, Jussi Taipale, Keith E. Young, Tapan Maiti, and Philip A. Beachy *  SANT-1
SANT-2
SANT-3
SANT-4
5786262
5800831
5725940
5568598
July-02 A small-molecule inhibitor of the ribonucleolytic activity of human angiogenin that possesses antitumor activity PNAS July 23, 2002 vol. 99 no. 15 10066-10071  Richard Y. T. Kao*,, Jeremy L. Jenkins*, Karen A. Olson*,, Marc E. Key§, James W. Fett*,, and Robert Shapiro*,,¶     
June-02 High-throughput measurement of the Tp53 response to anticancer drugs and random compounds using a stably integrated Tp53-responsive luciferase reporter  Carcinogenesis, Vol. 23, No. 6, 949-958, June 2002 Taylor A. Sohn1, Ravi Bansal3, Gloria H. Su2,3, Kathleen M. Murphy2 and Scott E. Kern2,4    
January-02 A small-molecule inhibitor of skeletal muscle myosin II. Nature Cell Biology 4, 83 - 88 (2001)  Cheung, A., J.A. Dantzig, S. Hollingworth, S.M. Baylor, Y.E. Goldman, T.J. Mitchison, and A.F. Straight. Compound 1 (BTS)

Compound 2
Compound 4
5116373


5253736
5102862
November-01 Small molecules that dramatically alter multidrug resistance phenotype by modulating the substrate specificity of P-glycoprotein PNAS   November 20, 2001   vol. 98   no. 24 14078-14083 Roman V. Kondratov*†, Pavel G. Komarov‡, Yigal Becker‡, Ariel Ewenson‡, and Andrei V. Gudkov*§ QB102 6130863
October-01 Convergence of distinct pathways to heart patterning revealed by the small molecule concentramide and the mutation heart-and-soul  Current Biology Volume 11, Issue 19, 2 October 2001, Pages 1481-1491  Randall T. Peterson, John D. Mably, Jau-Nian Chena and Mark C. Fishman Concentramide 5243294
October-01 Identification of a Class of Small Molecule Inhibitors of the Sirtuin Family of NAD-dependent Deacetylases by Phenotypic Screening J. Biol. Chem. 2001 , 276 (42), 38837 Grozinger, C. M.; Chao, E.D.; Blackwell, H.E.; Moazed, D.; Schreiber, S. L. Sirtinol
M15
5108474
5104559
October-01 Use of isogenic human cancer cells for high-throughput screening and drug discovery Nature Biotechnology  19, 940 - 945 (2001)  Christopher J. Torrance, Vijai Agrawal, Bert Vogelstein & Kenneth W. Kinzler SC-D
TPT
5141565
5252916
May-01 High-Throughput Drug Screening of the DPC4 Tumor-Suppressor Pathway in Human Pancreatic Cancer Cells Annals of Surgery. 233(5):696-703, May 2001. Sohn, Taylor A. MD *; Su, Gloria H. PhD +; Ryu, Byungwoo PhD ++; Yeo, Charles J. MD *++; Kern, Scott E. MD ++  Scriptaid 5158497
February-01 Identification of small-molecule inhibitors of interaction between the BH3 domain and Bcl-xL NATURE CELL BIOLOGY VOL 3 FEBRUARY 2001 Alexei Degterev*†‡, Alexey Lugovskoy§¶‡, Michael Cardone#, Bradley Mulley*, Gerhard Wagner§, Timothy Mitchison*† and Junying Yuan*,** BH3I-1
BH3I-1'
BH3I-2
5275805
5282986
5175362
November-00 Small molecule developmental screens reveal the logic and timing of vertebrate development PNAS November 21, 2000 vol. 97 no. 24 12965-12969 Randall T. Peterson*,, Brian A. Link, John E. Dowling, and Stuart L. Schreiber*,,,§,¶  32N8
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June-00 A Novel Histone Deacetylase Inhibitor Identified by High-throughput Transcriptional Screening of a Compound Library Cancer Res. 2000 , 60, 3137-42 Su, G.H.; Taylor, A.S.; Byungwoo, R.; Kern, S.E. Scriptaid 5158497
June-00 Signaling Pathways to the Assembly of an Interferon- Enhanceosome. CHEMICAL GENETIC STUDIES WITH A SMALL MOLECULE J. Biol. Chem. 2000 , 275, 16910-17 Taeil Kim, Tae Young Kim, Woo Ghil Lee§, Jeongbin Yim, and Tae Kook Kim§¶  CG-18 5112719
January-00 The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family Bioorganic and Medicinal Chemistry Letters, Volume 10, Number 1, 3 January 2000 , pp. 31-34(4) Webb T.R.T.R.1; Melman N.N.; Lvovskiy D.D.; Ji X.X.-d.; Jacobson K.A.K.A    
October-99 Multiple Novel Inhibitors of the NorA Multidrug Transporter of Staphylococcus aureus Antimicrobial Agents and Chemotherapy 1999 , 43, 2404-08 Penelope N. Markham,1,* Eric Westhaus,1 Katya Klyachko,2 Michael E. Johnson,2 and Alex A. Neyfakh2  INF 55
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October-99 Small Molecule Inhibitor of Mitotic Spindle Bipolarity Identified in a Phenotype-based Screen. Science 1999 , 286, 971-74. Mayer, T. U.; Kapoor, T.M.; Haggarty, S.J.; King, R.W.; Screiber, S.L.; Mitchison, T. J. Monastrol 5322014
September-99 A Chemical Inhibitor of p53 that Protects Mice from the Side Effects of Cancer Therapy Science 1999 , 285, 1733-37 Pavel G. Komarov, 1,2* Elena A. Komarova, 1* Roman V. Kondratov, 1,5 Konstantin Christov-Tselkov, 3 John S. Coon, 2 Mikhail V. Chernov, 4 Andrei V. Gudkov 1  PFT-alpha
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June-99 Chemical Genetic and Genomic Approaches Reveal a Role for Copper in Specific Gene Activation J. Am. Chem. Soc.; 1999; 121(45) pp 10662 - 10663 Brent R. Stockwell, James S. Hardwick, Jeffrey K. Tong, and Stuart L. Schreiber Cmpd 1b
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