Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50260598
Substrate
n/a
Meas. Tech.
ChEBML_1694122
IC50
204±n/a nM
Citation
 Shao, M; He, L; Zheng, L; Huang, L; Zhou, Y; Wang, T; Chen, Y; Shen, M; Wang, F; Yang, Z; Chen, L Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors. Bioorg Med Chem Lett 27:4051-4055 (2017) [PubMed]  Article 
Target
Name:
Histone deacetylase 1
Synonyms:
Cereblon/Histone deacetylase 1 | HD1 | HDAC1 | HDAC1_HUMAN | Histone deacetylase 1 (HDAC1) | Human HDAC1 | RPD3L1
Type:
Enzyme
Mol. Mass.:
55090.27
Organism:
Homo sapiens (Human)
Description:
Q13547
Residue:
482
Sequence:
MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEFSDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKLA
  
Inhibitor
Name:
BDBM50260598
Synonyms:
CHEMBL4064933
Type:
Small organic molecule
Emp. Form.:
C28H27N3O6
Mol. Mass.:
501.5305
SMILES:
COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1
Structure:
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