Citation | Jones, KL; Beaumont, DM; Bernard, SG; Bit, RA; Campbell, SP; Chung, CW; Cutler, L; Demont, EH; Dennis, K; Gordon, L; Gray, JR; Haase, MV; Lewis, AJ; McCleary, S; Mitchell, DJ; Moore, SM; Parr, N; Robb, OJ; Smithers, N; Soden, PE; Suckling, CJ; Taylor, S; Walker, AL; Watson, RJ; Prinjha, RK Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J Med Chem64:12200-12227 (2021) [PubMed] Article |
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SMILES | CCCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(51.57,-49.7,;50.81,-51.04,;49.27,-51.04,;48.5,-52.38,;49.13,-53.78,;47.99,-54.81,;48.01,-56.35,;46.67,-57.13,;45.34,-56.36,;44.01,-57.14,;42.67,-56.37,;41.34,-57.14,;39.94,-56.52,;39.61,-55.01,;38.9,-57.66,;39.67,-58.99,;41.18,-58.68,;42.33,-59.7,;42.67,-54.82,;41.34,-54.06,;41.34,-52.52,;44,-54.05,;45.34,-54.82,;46.66,-54.05,;46.98,-52.54,;45.94,-51.4,;46.41,-49.94,;47.92,-49.62,;48.39,-48.16,;47.36,-47.02,;45.84,-47.35,;45.38,-48.81,)| |