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Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.

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Title: Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
Authors: Quinn TR; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Giblin KA; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Thomson C; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Boerth JA; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Bommakanti G; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Braybrooke E; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Chan C; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Chinn AJ; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Code E; Discovery Sciences, R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Cui C; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China., Fan Y; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China., Grimster NP; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Kohara K; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Lamb ML; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Ma L; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China., Mfuh AM; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Robb GR; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Robbins KJ; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Schimpl M; Discovery Sciences, R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Tang H; Discovery Sciences, R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Ware J; Discovery Sciences, R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Wrigley GL; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K., Xue L; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China., Zhang Y; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States., Zhu H; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China., Hughes SJ; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.
Source: Journal of medicinal chemistry [J Med Chem] 2024 Aug 22; Vol. 67 (16), pp. 14210-14233. Date of Electronic Publication: 2024 Aug 12.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
FullText Text:
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  Data: <searchLink fieldCode="AU" term="%22Quinn+TR%22">Quinn TR</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Giblin+KA%22">Giblin KA</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Thomson+C%22">Thomson C</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Boerth+JA%22">Boerth JA</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Bommakanti+G%22">Bommakanti G</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Braybrooke+E%22">Braybrooke E</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Chan+C%22">Chan C</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Chinn+AJ%22">Chinn AJ</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Code+E%22">Code E</searchLink>; Discovery Sciences, R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Cui+C%22">Cui C</searchLink>; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China.<br /><searchLink fieldCode="AU" term="%22Fan+Y%22">Fan Y</searchLink>; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China.<br /><searchLink fieldCode="AU" term="%22Grimster+NP%22">Grimster NP</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Kohara+K%22">Kohara K</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Lamb+ML%22">Lamb ML</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Ma+L%22">Ma L</searchLink>; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China.<br /><searchLink fieldCode="AU" term="%22Mfuh+AM%22">Mfuh AM</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Robb+GR%22">Robb GR</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Robbins+KJ%22">Robbins KJ</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Schimpl+M%22">Schimpl M</searchLink>; Discovery Sciences, R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Tang+H%22">Tang H</searchLink>; Discovery Sciences, R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Ware+J%22">Ware J</searchLink>; Discovery Sciences, R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Wrigley+GL%22">Wrigley GL</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.<br /><searchLink fieldCode="AU" term="%22Xue+L%22">Xue L</searchLink>; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China.<br /><searchLink fieldCode="AU" term="%22Zhang+Y%22">Zhang Y</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.<br /><searchLink fieldCode="AU" term="%22Zhu+H%22">Zhu H</searchLink>; Pharmaron Beijing Co., Ltd., 6 Taihe Road, BDA, Beijing 100176, P. R. China.<br /><searchLink fieldCode="AU" term="%22Hughes+SJ%22">Hughes SJ</searchLink>; Early TDE Discovery, Oncology R&D, AstraZeneca, 1 Francis Crick Avenue, Cambridge CB2 0AA, U.K.
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  Data: <searchLink fieldCode="JN" term="%229716531%22">Journal of medicinal chemistry</searchLink> [J Med Chem] 2024 Aug 22; Vol. 67 (16), pp. 14210-14233. <i>Date of Electronic Publication: </i>2024 Aug 12.
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