Ki Summary

Reaction Details

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Target

Bromodomain-containing protein 4

Ligand

BDBM50576471

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2127285 (CHEMBL4836630)

IC50

316±n/a nM

Citation

Lucas, SCC; Atkinson, SJ; Chung, CW; Davis, R; Gordon, L; Grandi, P; Gray, JJR; Grimes, T; Phillipou, A; Preston, AG; Prinjha, RK; Rioja, I; Taylor, S; Tomkinson, NCO; Wall, I; Watson, RJ; Woolven, J; Demont, EH Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors. J Med Chem64:10711-10741 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Bromodomain-containing protein 4

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:

MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQT
NQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYW
NAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRG
RGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMT
VVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTI
DPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGI
LKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGA
DVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPPPTKVV
APPSSSDSSSDSSSDSDSSTDDSEEERAQRLAELQEQLKAVHEQLAALSQPQQNKPKKKE
KDKKEKKKEKHKRKEEVEENKKSKAKEPPPKKTKKNNSSNSNVSKKEPAPMKSKPPPTYE
SEEEDKCKPMSYEEKRQLSLDINKLPGEKLGRVVHIIQSREPSLKNSNPDEIEIDFETLK
PSTLRELERYVTSCLRKKRKPQAEKVDVIAGSSKMKGFSSSESESSSESSSSDSEDSETE
MAPKSKKKGHPGREQKKHHHHHHQQMQQAPAPVPQQPPPPPQQPPPPPPPQQQQQPPPPP
PPPSMPQQAAPAMKSSPPPFIATQVPVLEPQLPGSVFDPIGHFTQPILHLPQPELPPHLP
QPPEHSTPPHLNQHAVVSPPALHNALPQQPSRPSNRAAALPPKPARPPAVSPALTQTPLL
PQPPMAQPPQVLLEDEEPPAPPLTSMQMQLYLQQLQKVQPPTPLLPSVKVQSQPPPPLPP
PPHPSVQQQLQQQPPPPPPPQPQPPPQQQHQPPPRPVHLQPMQFSTHIQQPPPPQGQQPP
HPPPGQQPPPPQPAKPQQVIQHHHSPRHHKSDPYSTGHLREAPSPLMIHSPQMSQFQSLT
HQSPPQQNVQPKKQELRAASVVQPQPLVVVKEEKIHSPIIRSEPFSPSLRPEPPKHPESI
KAPVHLPQRPEMKPVDVGRPVIRPPEQNAPPPGAPDKDKQKQEPKTPVAPKKDLKIKNMG
SWASLVQKHPTTPSSTAKSSSDSFEQFRRAAREKEEREKALKAQAEHAEKEKERLRQERM
RSREDEDALEQARRAHEEARRRQEQQQQQRQEQQQQQQQQAAAVAAAATPQAQSSQPQSM
LDQQRELARKREQERRRREAMAATIDMNFQSDLLSIFEENLF

BDBM50576471

n/a

Name

BDBM50576471

Synonyms:

CHEMBL4851898

Type

Small organic molecule

Emp. Form.

C24H28N2O4

Mol. Mass.

408.4901

SMILES

CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:12.14,26.29,wD:23.25,(62.68,-21.5,;62.69,-23.04,;64.03,-23.81,;65.36,-23.03,;64.04,-25.35,;65.37,-26.11,;65.38,-27.66,;64.04,-28.43,;62.7,-27.66,;62.7,-26.12,;61.25,-25.65,;60.34,-26.89,;61.24,-28.13,;59.9,-28.9,;61.23,-29.67,;59.89,-30.43,;59.88,-31.97,;61.21,-32.75,;62.56,-31.98,;62.56,-30.44,;66.71,-28.43,;66.72,-29.97,;68.05,-27.66,;69.38,-28.42,;69.37,-29.96,;70.7,-30.74,;72.04,-29.97,;73.37,-30.75,;72.04,-28.43,;70.71,-27.65,)|

Structure