Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50261816
Substrate
n/a
Meas. Tech.
ChEMBL_514669 (CHEMBL976441)
IC50
271±n/a nM
Citation
 Kozikowski, AP; Tapadar, S; Luchini, DN; Kim, KH; Billadeau, DD Use of the nitrile oxide cycloaddition (NOC) reaction for molecular probe generation: a new class of enzyme selective histone deacetylase inhibitors (HDACIs) showing picomolar activity at HDAC6. J Med Chem 51:4370-3 (2008) [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:
BDBM50261816
Synonyms:
CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
Type:
Small organic molecule
Emp. Form.:
C22H30N4O6
Mol. Mass.:
446.4968
SMILES:
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Structure:
Search PDB for entries with ligand similarity: