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Target
Bromodomain-containing protein 4
Ligand
BDBM50030897
Substrate
n/a
Meas. Tech.
ChEMBL_1442439 (CHEMBL3380069)
IC50
13000±n/a nM
Citation
 McKeown, MR; Shaw, DL; Fu, H; Liu, S; Xu, X; Marineau, JJ; Huang, Y; Zhang, X; Buckley, DL; Kadam, A; Zhang, Z; Blacklow, SC; Qi, J; Zhang, W; Bradner, JE Biased multicomponent reactions to develop novel bromodomain inhibitors. J Med Chem 57:9019-27 (2014) [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:
BDBM50030897
Synonyms:
CHEMBL3356568
Type:
Small organic molecule
Emp. Form.:
C21H22FN5O
Mol. Mass.:
379.4307
SMILES:
Cc1noc(C)c1-c1ccc(cc1F)-c1nc2cnccn2c1NC(C)(C)C |(7.65,-53.99,;7.17,-55.45,;5.7,-55.93,;5.7,-57.47,;7.17,-57.95,;7.65,-59.41,;8.08,-56.7,;9.62,-56.7,;10.39,-55.36,;11.93,-55.36,;12.7,-56.7,;11.93,-58.03,;10.39,-58.03,;9.62,-59.36,;14.24,-56.7,;15.14,-57.95,;16.61,-57.47,;17.94,-58.24,;19.27,-57.47,;19.27,-55.93,;17.94,-55.16,;16.61,-55.93,;15.14,-55.45,;14.66,-53.99,;15.7,-52.84,;15.29,-51.36,;16.73,-51.7,;17.18,-53.24,)|
Structure:
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