Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50246034
Substrate
n/a
Meas. Tech.
ChEMBL_593106 (CHEMBL1042264)
IC50
2200±n/a nM
Citation
 Ontoria, JM; Altamura, S; Di Marco, A; Ferrigno, F; Laufer, R; Muraglia, E; Palumbi, MC; Rowley, M; Scarpelli, R; Schultz-Fademrecht, C; Serafini, S; Steinkühler, C; Jones, P Identification of novel, selective, and stable inhibitors of class II histone deacetylases. Validation studies of the inhibition of the enzymatic activity of HDAC4 by small molecules as a novel approach for cancer therapy. J Med Chem 52:6782-9 (2009) [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:
BDBM50246034
Synonyms:
2,2,2-Trifluoro-1-(5-{3-[(propylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl}thiophen-2-yl)ethanone | 2,2,2-trifluoro-1-(5-(3-(propylsulfonylmethyl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone | CHEMBL471173
Type:
Small organic molecule
Emp. Form.:
C12H11F3N2O4S2
Mol. Mass.:
368.352
SMILES:
CCCS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: