Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50587258
Substrate
n/a
Meas. Tech.
ChEMBL_2171718 (CHEMBL5056852)
IC50
>10000±n/a nM
Citation
 Schäker-Hübner, L; Warstat, R; Ahlert, H; Mishra, P; Kraft, FB; Schliehe-Diecks, J; Schöler, A; Borkhardt, A; Breit, B; Bhatia, S; Hügle, M; Günther, S; Hansen, FK 4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads. J Med Chem 64:14620-14646 (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:
BDBM50587258
Synonyms:
CHEMBL5091031
Type:
Small organic molecule
Emp. Form.:
C31H43N3O8S
Mol. Mass.:
617.753
SMILES:
COC(=O)CCCCCCCOc1ccc(cc1NC(=O)c1c2CCCCC(=O)c2c(C)n1C)S(=O)(=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: