Reaction Details 
Report a problem with these data
Report a problem with these dataTarget
Bromodomain-containing protein 4
Ligand
BDBM50566673
Substrate
n/a
Meas. Tech.
ChEMBL_2101511 (CHEMBL4809907)
IC50
398±n/a nM
Citation
Harrison, LA; Atkinson, SJ; Bassil, A; Chung, CW; Grandi, P; Gray, JRJ; Levernier, E; Lewis, A; Lugo, D; Messenger, C; Michon, AM; Mitchell, DJ; Preston, A; Prinjha, RK; Rioja, I; Seal, JT; Taylor, S; Wall, ID; Watson, RJ; Woolven, JM; Demont, EH Identification of a Series of J Med Chem 64:10742-10771 (2021) [PubMed] ArticleMore Info.:
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:
BDBM50566673
Synonyms:
CHEMBL4854196
Type:
Small organic molecule
Emp. Form.:
C21H25N3O3
Mol. Mass.:
367.4415
SMILES:
CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:20.21,(42.36,-49.18,;41.02,-48.41,;39.69,-49.18,;38.36,-48.41,;39.69,-50.72,;41.02,-51.5,;41.02,-53.04,;39.69,-53.8,;38.36,-53.04,;37.03,-53.81,;35.69,-53.04,;35.7,-51.5,;34.36,-50.74,;33.03,-51.51,;33.04,-53.06,;34.37,-53.82,;38.36,-51.5,;42.35,-53.81,;42.35,-55.35,;43.69,-53.04,;45.02,-53.81,;45.01,-55.35,;46.34,-56.12,;47.68,-55.36,;49.01,-56.14,;47.68,-53.82,;46.35,-53.04,)|
Structure:
