Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50103603
Substrate
n/a
Meas. Tech.
ChEMBL_1484268 (CHEMBL3538484)
IC50
4600±n/a nM
Citation
 Fredenhagen, A; Kittelmann, M; Oberer, L; Kuhn, A; Kühnöl, J; Délémonté, T; Aichholz, R; Wang, P; Atadja, P; Shultz, MD Biocatalytic synthesis and structure elucidation of cyclized metabolites of the deacetylase inhibitor panobinostat (LBH589). Drug Metab Dispos 40:1041-50 (2012) [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:
BDBM50103603
Synonyms:
CHEMBL3526942
Type:
Small organic molecule
Emp. Form.:
C21H23N3O2
Mol. Mass.:
349.4262
SMILES:
Cc1[nH]c2cc(O)ccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
Structure:
Search PDB for entries with ligand similarity: