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Target
Bromodomain-containing protein 4
Ligand
BDBM50544608
Substrate
n/a
Meas. Tech.
ChEMBL_1993245 (CHEMBL4626980)
IC50
794±n/a nM
Citation
 Wellaway, CR; Bamborough, P; Bernard, SG; Chung, CW; Craggs, PD; Cutler, L; Demont, EH; Evans, JP; Gordon, L; Karamshi, B; Lewis, AJ; Lindon, MJ; Mitchell, DJ; Rioja, I; Soden, PE; Taylor, S; Watson, RJ; Willis, R; Woolven, JM; Wyspia?ska, BS; Kerr, WJ; Prinjha, RK Structure-Based Design of a Bromodomain and Extraterminal Domain (BET) Inhibitor Selective for the N-Terminal Bromodomains That Retains an Anti-inflammatory and Antiproliferative Phenotype. J Med Chem 63:9020-9044 (2020) [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:
BDBM50544608
Synonyms:
CHEMBL4642291
Type:
Small organic molecule
Emp. Form.:
C28H30N6O3
Mol. Mass.:
498.5762
SMILES:
CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC[C@@H]4CCNC4)cc23)n(C)c1=O |r,wD:26.27,(7.59,-49.12,;9.09,-48.79,;9.56,-47.33,;11.07,-47.01,;11.54,-45.55,;10.51,-44.4,;8.99,-44.73,;8.53,-46.2,;10.13,-49.93,;9.81,-51.43,;11.14,-52.19,;11.16,-53.74,;9.82,-54.52,;8.49,-53.75,;7.16,-54.53,;5.82,-53.76,;4.49,-54.52,;3.08,-53.89,;2.76,-52.39,;2.05,-55.04,;2.82,-56.37,;4.32,-56.05,;5.47,-57.08,;5.82,-52.21,;4.49,-51.44,;4.49,-49.9,;3.15,-49.13,;1.75,-49.76,;.72,-48.61,;1.49,-47.28,;2.99,-47.6,;7.15,-51.44,;8.49,-52.21,;12.28,-51.17,;13.79,-51.48,;11.65,-49.77,;12.42,-48.43,)|
Structure:
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