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Target
Bromodomain-containing protein 4
Ligand
BDBM50579853
Substrate
n/a
Meas. Tech.
ChEMBL_2145529 (CHEMBL5029809)
IC50
0.500000±n/a nM
Citation
 Hill, MD; Quesnelle, C; Tokarski, J; Fang, H; Fanslau, C; Haarhoff, Z; Kramer, M; Madari, S; Wiebesiek, A; Morrison, J; Simmermacher-Mayer, J; Sinz, M; Westhouse, R; Xie, C; Zhao, J; Huang, L; Sheriff, S; Yan, C; Marsilio, F; Everlof, G; Zvyaga, T; Lee, F; Gavai, AV; Degnan, AP Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorg Med Chem Lett 51:0 (2021) [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:
BDBM50579853
Synonyms:
CHEMBL5075294
Type:
Small organic molecule
Emp. Form.:
C27H28F2N6O
Mol. Mass.:
493.5661
SMILES:
[2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](CCC)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.18,(54.77,-34.94,;56.32,-34.94,;57.07,-36.27,;55.78,-36.06,;57.04,-33.58,;58.57,-33.38,;58.84,-31.86,;57.49,-31.13,;57.28,-29.61,;56.38,-32.2,;54.86,-31.93,;53.87,-33.1,;52.35,-32.82,;51.14,-33.77,;51.2,-35.31,;49.89,-36.12,;48.54,-35.4,;47.23,-36.21,;52.55,-36.03,;53.85,-35.22,;55.21,-35.93,;55.27,-37.48,;53.96,-38.3,;52.6,-37.57,;51.29,-38.38,;49.87,-32.9,;48.39,-33.26,;47.33,-32.16,;47.76,-30.69,;49.25,-30.33,;50.3,-31.44,;51.84,-31.37,;52.83,-30.2,;54.34,-30.47,;55.33,-29.29,;45.84,-32.53,;45.41,-34.01,;44.34,-32.93,;44.77,-31.42,)|
Structure:
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