Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50195133
Substrate
n/a
Meas. Tech.
ChEMBL_422136 (CHEMBL907072)
IC50
3300±n/a nM
Citation
 Jones, P; Altamura, S; Chakravarty, PK; Cecchetti, O; De Francesco, R; Gallinari, P; Ingenito, R; Meinke, PT; Petrocchi, A; Rowley, M; Scarpelli, R; Serafini, S; Steinkühler, C A series of novel, potent, and selective histone deacetylase inhibitors. Bioorg Med Chem Lett 16:5948-52 (2006) [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:
BDBM50195133
Synonyms:
(S)-N-(2-chlorophenyl)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-8-oxononanamide | CHEMBL216414
Type:
Small organic molecule
Emp. Form.:
C27H32ClN3O4
Mol. Mass.:
498.014
SMILES:
COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc3ccccc3Cl)c2c1
Structure:
Search PDB for entries with ligand similarity: