Target
Histone deacetylase 1
Ligand
BDBM50591848
Substrate
n/a
Meas. Tech.
ChEMBL_2202276 (CHEMBL5114984)
IC50
1270±n/a nM
Citation
 Federico, SKhan, TFontana, ABrogi, SBenedetti, RSarno, FCarullo, GPezzotta, ASaraswati, APPassaro, EPozzetti, LPapa, ARelitti, NGemma, SButini, SPistocchi, ARamunno, AVincenzi, FVarani, KTatangelo, VPatrussi, LBaldari, CTSaponara, SGorelli, BLamponi, SValoti, MSaccoccia, FGiannaccari, MRuberti, GHerp, DJung, MAltucci, LCampiani, G Azetidin-2-one-based small molecules as dual hHDAC6/HDAC8 inhibitors: Investigation of their mechanism of action and impact of dual inhibition profile on cell viability. Eur J Med Chem 238:0 (2022) [PubMed] 
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:
BDBM50591848
Synonyms:
CHEMBL5192082
Type:
Small organic molecule
Emp. Form.:
C28H28N4O4
Mol. Mass.:
484.5463
SMILES:
ONC(=O)c1ccc(NC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccccc2)c2ccccc2)cc1 |r|
Structure:
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