Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50421819
Substrate
n/a
Meas. Tech.
ChEMBL_2270298
IC50
8310±n/a nM
Citation
 Chen, X; Chen, X; Steimbach, RR; Wu, T; Li, H; Dan, W; Shi, P; Cao, C; Li, D; Miller, AK; Qiu, Z; Gao, J; Zhu, Y Novel 2, 5-diketopiperazine derivatives as potent selective histone deacetylase 6 inhibitors: Rational design, synthesis and antiproliferative activity. Eur J Med Chem 187:0 (2020) [PubMed]
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:
BDBM50421819
Synonyms:
CHEMBL5286689
Type:
Small organic molecule
Emp. Form.:
C26H24ClN3O4
Mol. Mass.:
477.939
SMILES:
ONC(=O)c1ccc(CN2CC(=O)N(Cc3ccccc3Cl)[C@H](Cc3ccccc3)C2=O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: