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Target
Bromodomain-containing protein 4
Ligand
BDBM50544610
Substrate
n/a
Meas. Tech.
ChEMBL_1993245 (CHEMBL4626980)
IC50
1259±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:
BDBM50544610
Synonyms:
CHEMBL4635194
Type:
Small organic molecule
Emp. Form.:
C27H28N6O3
Mol. Mass.:
484.5496
SMILES:
C[C@H](c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(O[C@@H]4CCNC4)cc23)n(C)c1=O |r,wU:25.26,wD:1.0,(48.42,-33.8,;49.93,-33.48,;50.4,-32.01,;51.9,-31.7,;52.38,-30.23,;51.34,-29.09,;49.83,-29.42,;49.36,-30.89,;50.96,-34.62,;50.65,-36.12,;51.98,-36.88,;51.99,-38.43,;50.66,-39.2,;49.32,-38.44,;47.99,-39.21,;46.66,-38.44,;45.32,-39.21,;43.92,-38.58,;43.6,-37.07,;42.88,-39.72,;43.65,-41.06,;45.16,-40.74,;46.3,-41.77,;46.66,-36.9,;45.32,-36.13,;45.32,-34.59,;46.57,-33.68,;46.09,-32.22,;44.55,-32.22,;44.08,-33.69,;47.99,-36.13,;49.32,-36.89,;53.11,-35.85,;54.62,-36.17,;52.49,-34.45,;53.25,-33.12,)|
Structure:
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