Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50503969
Substrate
n/a
Meas. Tech.
ChEMBL_1812671 (CHEMBL4312245)
IC50
2.6±n/a nM
Citation
 Zhang, K; Lai, F; Lin, S; Ji, M; Zhang, J; Zhang, Y; Jin, J; Fu, R; Wu, D; Tian, H; Xue, N; Sheng, L; Zou, X; Li, Y; Chen, X; Xu, H Design, Synthesis, and Biological Evaluation of 4-Methyl Quinazoline Derivatives as Anticancer Agents Simultaneously Targeting Phosphoinositide 3-Kinases and Histone Deacetylases. J Med Chem 62:6992-7014 (2019) [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:
BDBM50503969
Synonyms:
CHEMBL4462934
Type:
Small organic molecule
Emp. Form.:
C24H24FN7O4
Mol. Mass.:
493.4903
SMILES:
CCN(CCOc1cc(cc2c(C)ncnc12)-c1cnc(OC)c(F)c1)c1ncc(cn1)C(=O)NO
Structure:
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