Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [1-477]
Ligand
BDBM445531
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:
BDBM445531
Synonyms:
1-Cyclopropyl-1-[7-(dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(2-fluorophenyl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-3-yl]ethan-1-ol | US10683290, Example 23 | US10683290, Example 24
Type:
Small organic molecule
Emp. Form.:
C32H33F2N5O2
Mol. Mass.:
557.6335
SMILES:
Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2cc1F)C(C)(O)C1CC1 |r,wU:11.11,(5.87,-2.61,;5.87,-4.15,;7.24,-4.85,;7,-6.37,;5.48,-6.61,;4.71,-7.95,;4.78,-5.24,;3.3,-4.84,;2.27,-5.99,;.76,-5.67,;-.49,-6.57,;-.49,-8.11,;.85,-8.88,;2.18,-8.11,;3.51,-8.88,;3.51,-10.42,;2.18,-11.19,;.85,-10.42,;-1.82,-8.88,;-3.15,-8.11,;-4.49,-8.88,;-4.49,-10.42,;-3.15,-11.19,;-1.82,-10.42,;-.49,-11.19,;-1.73,-5.67,;-3.24,-5.99,;-4.27,-4.84,;-3.79,-3.38,;-2.29,-3.06,;-1.26,-4.2,;.28,-4.2,;1.31,-3.06,;2.82,-3.38,;3.85,-2.23,;-5.76,-5.24,;-6.85,-4.15,;-7.24,-5.64,;-6.16,-6.73,;-7.24,-7.82,;-5.76,-8.22,)|
Structure:
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