Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM249366
Substrate
n/a
Meas. Tech.
HDAC Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
961±n/a nM
Comments
extracted
Citation
 Mazitschek, R; van Duzer, JH Pyrimidine hydroxy amide compounds as HDAC6 selective inhibitors US Patent  US9884850 Publication Date 2/6/2018 
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:
BDBM249366
Synonyms:
US9464073, 003 | US9884850, Compound 3
Type:
Small organic molecule
Emp. Form.:
C17H18F2N4O2
Mol. Mass.:
348.3472
SMILES:
ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1
Structure:
Search PDB for entries with ligand similarity: