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 | CCCC(C)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC)cc23)[nH]c1=O |(9.7,-12.51,;9.23,-13.98,;10.26,-15.12,;9.79,-16.58,;8.29,-16.91,;10.83,-17.72,;10.51,-19.22,;11.84,-19.99,;11.86,-21.53,;10.52,-22.31,;9.19,-21.54,;7.85,-22.32,;6.52,-21.55,;5.19,-22.32,;3.79,-21.7,;3.46,-20.19,;2.75,-22.84,;3.52,-24.17,;5.03,-23.86,;6.17,-24.88,;6.52,-20,;5.19,-19.23,;5.19,-17.69,;7.85,-19.23,;9.19,-20,;12.98,-18.96,;12.35,-17.56,;13.12,-16.22,)| |