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Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
Schoepfer J, Jahnke W, Berellini G, Buonamici S, Cotesta S, Cowan-Jacob SW, Dodd S, Drueckes P, Fabbro D, Gabriel T, Groell JM, Grotzfeld RM, Hassan AQ, Henry C, Iyer V, Jones D, Lombardo F, Loo A, Manley PW, Pellé X, Rummel G, Salem B, Warmuth M, Wylie AA, Zoller T, Marzinzik AL, Furet P. Schoepfer J, et al. Among authors: berellini g. J Med Chem. 2018 Sep 27;61(18):8120-8135. doi: 10.1021/acs.jmedchem.8b01040. Epub 2018 Sep 7. J Med Chem. 2018. PMID: 30137981
In silico prediction of total human plasma clearance.
Berellini G, Waters NJ, Lombardo F. Berellini G, et al. J Chem Inf Model. 2012 Aug 27;52(8):2069-78. doi: 10.1021/ci300155y. Epub 2012 Jul 18. J Chem Inf Model. 2012. PMID: 22715914
Benefit of Retraining pKa Models Studied Using Internally Measured Data.
Gedeck P, Lu Y, Skolnik S, Rodde S, Dollinger G, Jia W, Berellini G, Vianello R, Faller B, Lombardo F. Gedeck P, et al. Among authors: berellini g. J Chem Inf Model. 2015 Jul 27;55(7):1449-59. doi: 10.1021/acs.jcim.5b00172. Epub 2015 Jun 29. J Chem Inf Model. 2015. PMID: 26052622
The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.
Wylie AA, Schoepfer J, Jahnke W, Cowan-Jacob SW, Loo A, Furet P, Marzinzik AL, Pelle X, Donovan J, Zhu W, Buonamici S, Hassan AQ, Lombardo F, Iyer V, Palmer M, Berellini G, Dodd S, Thohan S, Bitter H, Branford S, Ross DM, Hughes TP, Petruzzelli L, Vanasse KG, Warmuth M, Hofmann F, Keen NJ, Sellers WR. Wylie AA, et al. Among authors: berellini g. Nature. 2017 Mar 30;543(7647):733-737. doi: 10.1038/nature21702. Epub 2017 Mar 22. Nature. 2017. PMID: 28329763
18 results