Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50543647
Substrate
n/a
Meas. Tech.
ChEMBL_2035378 (CHEMBL4689536)
IC50
143±n/a nM
Citation
 Dykstra, KD; Streckfuss, E; Liu, M; Liu, J; Yu, Y; Wang, M; Kozlowski, JA; Myers, RW; Buevich, AV; Maletic, MM; Vachal, P; Krska, SW Synthesis of HDAC Inhibitor Libraries via Microscale Workflow. ACS Med Chem Lett 12:337-342 (2021) [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:
BDBM50543647
Synonyms:
CHEMBL4637357
Type:
Small organic molecule
Emp. Form.:
C32H43N5O3
Mol. Mass.:
545.7155
SMILES:
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccccc3nc2OC)CC1 |r|
Structure:
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