The identification of a novel series of small molecule BET inhibitors is described. Using crystallographic binding modes of an amino-isoxazole fragment and known BET inhibitors, a structure-based drug design effort lead to a novel isoxazole azepine scaffold. This scaffold showed good potency in biochemical and cellular assays and oral activity in an in vivo model of BET inhibition.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4027525 | PMC |
| http://dx.doi.org/10.1021/ml4001485 | DOI Listing |
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