Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50569274
Substrate
n/a
Meas. Tech.
ChEMBL_2108609 (CHEMBL4817284)
IC50
31000±n/a nM
Citation
 Zhang, XJ; Liu, MH; Luo, YS; Han, GY; Ma, ZQ; Huang, F; Wang, Y; Miao, ZY; Zhang, WN; Sheng, CQ; Yao, JZ Novel dual-mode antitumor chlorin-based derivatives as potent photosensitizers and histone deacetylase inhibitors for photodynamic therapy and chemotherapy. Eur J Med Chem 217:0 (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:
BDBM50569274
Synonyms:
CHEMBL4878318
Type:
Small organic molecule
Emp. Form.:
C42H44N6O5
Mol. Mass.:
712.836
SMILES:
CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(=O)OC)[C@@H](CCC(=O)N\C=C\c1ccc(cc1)C(=O)NO)[C@@H]4C)c(C)c3C=C |r|
Structure:
Search PDB for entries with ligand similarity: