Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM419959
Substrate
n/a
Meas. Tech.
AlphaScreen Assay A2
IC50
<100±n/a nM
Citation
 Combs, AP; Sparks, RB; Maduskuie, Jr., TP; Rodgers, JD Tricyclic heterocycles as BET protein inhibitors US Patent  US10464947 Publication Date 11/5/2019 
Target
Name:
Bromodomain-containing protein 4 [42-168]
Synonyms:
BRD4 | BRD4 BD1 (aa 42-168) | BRD4_HUMAN | Bromodomain-containing protein 4 Bromo Domain 1 | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
15054.68
Organism:
Homo sapiens (Human)
Description:
O60885[42-168]
Residue:
127
Sequence:
STNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
  
Inhibitor
Name:
BDBM419959
Synonyms:
US10464947, Example 61A
Type:
Small organic molecule
Emp. Form.:
C21H20N4O3
Mol. Mass.:
376.4085
SMILES:
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3[C@@H](c4ccccn4)C(C)(C)Oc1c23 |r,wU:15.16,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;3.76,-1.83,;5.3,-1.88,;4.58,-3.14,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,)|
Structure:
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