Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50606553
Substrate
n/a
Meas. Tech.
ChEMBL_2260538 (CHEMBL5215549)
IC50
<0.300000±n/a nM
Citation
 Yu, W; Liu, J; Clausen, D; Yu, Y; Duffy, JL; Wang, M; Xu, S; Deng, L; Suzuki, T; Chung, CC; Myers, RW; Klein, DJ; Fells, JI; Holloway, MK; Wu, J; Wu, G; Howell, BJ; Barnard, RJO; Kozlowski, J Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity. J Med Chem 64:4709-4729 (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:
BDBM50606553
Synonyms:
CHEMBL5218586
Type:
Small organic molecule
Emp. Form.:
C31H41N5O3
Mol. Mass.:
531.6889
SMILES:
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2cccnc2cc1OC |r|
Structure:
Search PDB for entries with ligand similarity: