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Target
Bromodomain-containing protein 4
Ligand
BDBM50508320
Substrate
n/a
Meas. Tech.
ChEMBL_1832467 (CHEMBL4332475)
IC50
148±n/a nM
Citation
 Sperandio, D; Aktoudianakis, V; Babaoglu, K; Chen, X; Elbel, K; Chin, G; Corkey, B; Du, J; Jiang, B; Kobayashi, T; Mackman, R; Martinez, R; Yang, H; Zablocki, J; Kusam, S; Jordan, K; Webb, H; Bates, JG; Lad, L; Mish, M; Niedziela-Majka, A; Metobo, S; Sapre, A; Hung, M; Jin, D; Fung, W; Kan, E; Eisenberg, G; Larson, N; Newby, ZER; Lansdon, E; Tay, C; Neve, RM; Shevick, SL; Breckenridge, DG Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg Med Chem 27:457-469 (2019) [PubMed]  Article
Target
Name:
Bromodomain-containing protein 4
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | HUNK1 | Protein HUNK1
Type:
Protein
Mol. Mass.:
152264.84
Organism:
Homo sapiens (Human)
Description:
O60885
Residue:
1362
Sequence:
MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPPPTKVVAPPSSSDSSSDSSSDSDSSTDDSEEERAQRLAELQEQLKAVHEQLAALSQPQQNKPKKKEKDKKEKKKEKHKRKEEVEENKKSKAKEPPPKKTKKNNSSNSNVSKKEPAPMKSKPPPTYESEEEDKCKPMSYEEKRQLSLDINKLPGEKLGRVVHIIQSREPSLKNSNPDEIEIDFETLKPSTLRELERYVTSCLRKKRKPQAEKVDVIAGSSKMKGFSSSESESSSESSSSDSEDSETEMAPKSKKKGHPGREQKKHHHHHHQQMQQAPAPVPQQPPPPPQQPPPPPPPQQQQQPPPPPPPPSMPQQAAPAMKSSPPPFIATQVPVLEPQLPGSVFDPIGHFTQPILHLPQPELPPHLPQPPEHSTPPHLNQHAVVSPPALHNALPQQPSRPSNRAAALPPKPARPPAVSPALTQTPLLPQPPMAQPPQVLLEDEEPPAPPLTSMQMQLYLQQLQKVQPPTPLLPSVKVQSQPPPPLPPPPHPSVQQQLQQQPPPPPPPQPQPPPQQQHQPPPRPVHLQPMQFSTHIQQPPPPQGQQPPHPPPGQQPPPPQPAKPQQVIQHHHSPRHHKSDPYSTGHLREAPSPLMIHSPQMSQFQSLTHQSPPQQNVQPKKQELRAASVVQPQPLVVVKEEKIHSPIIRSEPFSPSLRPEPPKHPESIKAPVHLPQRPEMKPVDVGRPVIRPPEQNAPPPGAPDKDKQKQEPKTPVAPKKDLKIKNMGSWASLVQKHPTTPSSTAKSSSDSFEQFRRAAREKEEREKALKAQAEHAEKEKERLRQERMRSREDEDALEQARRAHEEARRRQEQQQQQRQEQQQQQQQQAAAVAAAATPQAQSSQPQSMLDQQRELARKREQERRRREAMAATIDMNFQSDLLSIFEENLF
  
Inhibitor
Name:
BDBM50508320
Synonyms:
CHEMBL4534568
Type:
Small organic molecule
Emp. Form.:
C20H20N4O2
Mol. Mass.:
348.3984
SMILES:
Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc([nH]c2c1)C1CC1 |(10.45,-37.7,;8.98,-37.23,;8.5,-35.76,;6.96,-35.77,;6.49,-37.23,;5.03,-37.72,;7.75,-38.13,;7.75,-39.67,;9.09,-40.43,;9.09,-41.98,;10.43,-42.76,;10.43,-44.29,;9.18,-45.2,;11.89,-44.77,;12.79,-43.52,;11.89,-42.28,;12.36,-40.82,;7.75,-42.76,;7.44,-44.26,;5.91,-44.43,;5.28,-43.02,;6.42,-41.99,;6.42,-40.44,;5.14,-45.76,;3.82,-46.54,;5.15,-47.3,)|
Structure:
Search PDB for entries with ligand similarity: