Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50188892
Substrate
n/a
Meas. Tech.
ChEMBL_1590558 (CHEMBL3828935)
IC50
0.550000±n/a nM
Citation
 Chen, Y; Wang, X; Xiang, W; He, L; Tang, M; Wang, F; Wang, T; Yang, Z; Yi, Y; Wang, H; Niu, T; Zheng, L; Lei, L; Li, X; Song, H; Chen, L Development of Purine-Based Hydroxamic Acid Derivatives: Potent Histone Deacetylase Inhibitors with Marked in Vitro and in Vivo Antitumor Activities. J Med Chem 59:5488-504 (2016) [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:
BDBM50188892
Synonyms:
CHEMBL3828492
Type:
Small organic molecule
Emp. Form.:
C23H25N9O4
Mol. Mass.:
491.5025
SMILES:
CN(Cc1nc2c(nc(nc2n1C)-c1cccc(O)c1)N1CCOCC1)c1ncc(cn1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: