Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM463823
Substrate
n/a
Meas. Tech.
BRD4 AlphaScreen Assay
IC50
<100±n/a nM
Citation
 Combs, AP; Maduskuie, Jr., TP; Falahatpisheh, N 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins US Patent  US11059821 Publication Date 7/13/2021 
Target
Name:
Bromodomain-containing protein 4 [342-460]
Synonyms:
BRD4 | BRD4-BD2 (aa 342-460) | BRD4_HUMAN | Bromodomain containing 4 (aa 342-460) | Bromodomain-containing protein 4 (BRD4)(BD2) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
13783.81
Organism:
Homo sapiens (Human)
Description:
a.a. 342-460 (BRD4-BD2)
Residue:
119
Sequence:
PAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
  
Inhibitor
Name:
BDBM463823
Synonyms:
4-(cyclopropylmethyl)-2- isopropyl-8-(6-methyl-7-oxo- 7-dihydro-1H-pyrrolo[2,3- c]pyridm-4-yl)-6- (methylsulfonyl)-2H-1,4- benzoxazin-3(4H)-one | US10781209, Example 53 | US11059821, Example 53 | US11702416, Example 53
Type:
Small organic molecule
Emp. Form.:
C24H27N3O5S
Mol. Mass.:
469.553
SMILES:
CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(CC2CC2)C1=O
Structure:
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