Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50562309
Substrate
n/a
Meas. Tech.
ChEMBL_2077866 (CHEMBL4733657)
IC50
52±n/a nM
Citation
 Chen, J; Li, Y; Zhang, J; Zhang, M; Wei, A; Liu, H; Xie, Z; Ren, W; Duan, W; Zhang, Z; Shen, A; Hu, Y Discovery of selective HDAC/BRD4 dual inhibitors as epigenetic probes. Eur J Med Chem 209:0 (2021) [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:
BDBM50562309
Synonyms:
CHEMBL4749756
Type:
Small organic molecule
Emp. Form.:
C31H34F2N4O6
Mol. Mass.:
596.6217
SMILES:
Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)C(C)(C)O)c2cc([nH]c2c1=O)C(=O)NCCCCCCC(=O)NO
Structure:
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