Targeted kinase selectivity from kinase profiling data

ACS Medicinal Chemistry Letters

Volumn 3, Issue 5, 2012, Pages 383-386

  Milletti, Francesca ^a   Hermann, Johannes C ^b  

^a PRED Informatics Roche   (United States)

^b Discovery Chemistry   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EPIDERMAL GROWTH FACTOR RECEPTOR; PLATELET DERIVED GROWTH FACTOR ALPHA RECEPTOR; PROTEIN KINASE; SCAFFOLD PROTEIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL MODIFICATION; CRYSTAL STRUCTURE; ENZYME ACTIVITY; PRIORITY JOURNAL; PROTEIN TARGETING; SUBSTITUTION REACTION;

EID: 84861031267     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml300012r     Document Type: Article

References (19)

1. Liu, Y.; Gray, N. S. Rational design of inhibitors that bind to inactive kinase conformations Nat. Chem. Biol. 2006, 2 (7) 358-364 (Pubitemid 43936934)
2. Jacobs, M. D.; Caron, P. R.; Hare, B. J. Classifying protein kinase structures guides use of ligand-selectivity profiles to predict inactive conformations: Structure of lck/imatinib complex Proteins 2008, 70 (4) 1451-1460 (Pubitemid 351304103)
3. Rabiller, M.; Getlik, M.; Klüter, S.; Richters, A.; Tückmantel, S.; Simard, J. R.; Rauh, D. Proteus in the World of Proteins: Conformational Changes in Protein Kinases Archiv. Pharm. 2010, 343 (4) 193-206
4. Noble, M. E. M.; Endicott, J. A.; Johnson, L. N. Protein Kinase Inhibitors: Insights into Drug Design from Structure Science 2004, 5665 (303) 1800-1805 (Pubitemid 38374863)
5. Goldstein, D. M.; Kuglstatter, A.; Lou, Y.; Soth, M. J. Selective p38a Inhibitors Clinically Evaluated for the Treatment of Chronic Inflammatory Disorders J. Med. Chem. 2010, 53 (6) 2345-2353
6. Garber, K. Pfizer's JAK inhibitor sails through phase 3 in rheumatoid arthritis Nat. Biotechnol. 2011, 29 (6) 467-468
7. Lin, T. H. Selective functional inhibition of JAK-3 is sufficient for efficacy in collagen-induced arthritis in mice Arthritis Rheum. 2010, 62 (8) 2283-2293
8. Malerich, J. P.; Lam, J. S.; Hart, B.; Fine, R. M.; Klebansky, B.; Tanga, M. J.; D'Andrea, A. Diamino-1,2,4-triazole derivatives are selective inhibitors of TYK2 and JAK1 over JAK2 and JAK3 Bioorg. Med. Chem. Lett. 2010, 20 (24) 7454-7457
9. Pardanani, A.; Lasho, T.; Smith, G.; Burns, C. J.; Fantino, E.; Tefferi, A. CYT387, a selective JAK1/JAK2 inhibitor: in vitro assessment of kinase selectivity and preclinical studies using cell lines and primary cells from polycythemia vera patients Leukemia 2009, 23 (8) 1441-1445
10. Tsui, V.; Gibbons, P.; Ultsch, M.; Mortara, K.; Chang, C.; Blair, W.; Pulk, R.; Stanley, M.; Starovasnik, M.; Williams, D.; Lamers, M.; Leonard, P.; Magnuson, S.; Liang, J.; Eigenbrot, C. A new regulatory switch in a JAK protein kinase Proteins 2011, 79 (2) 393-401
11. Harikrishnan, L. S. Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3 Bioorg. Med. Chem. Lett. 2011, 21 (5) 1425-1428
12. Seeliger, M. A.; Nagar, B.; Frank, F.; Cao, X.; Henderson, M. N.; Kuriyan, J. c-Src Binds to the Cancer Drug Imatinib with an Inactive Abl/c-Kit Conformation and a Distributed Thermodynamic Penalty Structure 2007, 15 (3) 299-311 (Pubitemid 46366721)
13. Metz, J. T.; Johnson, E. F.; Soni, N. B.; Merta, P. J.; Kifle, L.; Hajduk, P. J. Navigating the kinome Nat. Chem. Biol. 2011, 7 (4) 200-202
14. Kinase SARfari, https://www.ebi.ac.uk/chembl/sarfari/kinasesarfari (Accessed Dec 2011).
15. Leach, A. G.; Jones, H. D.; Cosgrove, D. A.; Kenny, P. W.; Ruston, L.; MacFaul, P.; Wood, J. M.; Colclough, N.; Law, B. Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure J. Med. Chem. 2006, 49 (23) 6672-6682 (Pubitemid 44749735)
16. Papadatos, G.; Alkarouri, M.; Gillet, V. J.; Willett, P. Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity J. Chem. Inf. Model. 2010, 50 (10) 1872-1886
17. Guha, R.; Van Drie, J. H. Structure-Activity Landscape Index: Identifying and Quantifying Activity Cliffs J. Chem. Inf. Model. 2008, 48 (3) 646-658 (Pubitemid 351535432)
18. Wassermann, A. M.; Bajorath, J. Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets J. Chem. Inf. Model. 2011, 50 (7) 1248-1256
19. Ambit KINOMEscan-High-Throughput Kinase Selectivity Profiling, www.kinomescan.com (Accessed Dec 2011).