Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [1-477]
Ligand
BDBM445539
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay
IC50
<5±n/a nM
Citation
 Quesnelle, CA; Harikrishnan, LS; Hill, MD Tricyclic compounds as anticancer agents US Patent  US10683290 Publication Date 6/16/2020 
Target
Name:
Bromodomain-containing protein 4 [1-477]
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4)(1-477) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52863.68
Organism:
Homo sapiens (Human)
Description:
O60885[1-477]
Residue:
475
Sequence:
MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPP
  
Inhibitor
Name:
BDBM445539
Synonyms:
2-{8-Fluoro-5-[(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-7-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | US10683290, Example 31
Type:
Small organic molecule
Emp. Form.:
C30H32FN5O2
Mol. Mass.:
513.6058
SMILES:
Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O |wU:11.11,(-3.61,-5.6,;-3.77,-4.07,;-5.1,-3.3,;-4.78,-1.8,;-3.25,-1.64,;-2.48,-.3,;-2.63,-3.04,;-1.12,-3.36,;-.09,-2.22,;1.42,-2.54,;2.66,-1.63,;2.66,-.09,;1.33,.68,;-0,-.09,;-1.34,.68,;-1.34,2.22,;-0,2.99,;1.33,2.22,;4,.68,;4,2.22,;5.33,2.99,;6.66,2.22,;6.66,.68,;5.33,-.09,;3.91,-2.54,;5.42,-2.22,;6.45,-3.36,;5.97,-4.83,;4.46,-5.15,;3.43,-4,;1.89,-4,;.86,-5.15,;-.64,-4.83,;-1.67,-5.97,;7.95,-3.04,;9.46,-2.72,;8.27,-4.55,;7.63,-1.54,)|
Structure:
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