Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [44-477]
Ligand
BDBM274209
Substrate
n/a
Meas. Tech.
TR-FRET In-Vitro Binding Assay
pH
7.5±n/a
IC50
12.0±n/a nM
Comments
extracted
Citation
 Rueger, H; Blank, J; Bordas, V; Cotesta, S; Bold, G; Guagnano, V; Vaupel, A Pyrrolopyrrolone derivatives and their use as BET inhibitors US Patent  US9550796 Publication Date 1/24/2017 
Target
Name:
Bromodomain-containing protein 4 [44-477]
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 | HUNK1
Type:
Enzyme Catalytic Domain (aa 44-477)
Mol. Mass.:
48692.13
Organism:
Homo sapiens (Human)
Description:
O60885[44-477]
Residue:
434
Sequence:
NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPPPT
  
Inhibitor
Name:
BDBM274209
Synonyms:
6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-yl)-1-(methoxymethyl)-3-methyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one | US9550796, Example 2
Type:
Small organic molecule
Emp. Form.:
C22H21ClN6O2
Mol. Mass.:
436.894
SMILES:
COCn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Structure:
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