Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50080004
Substrate
n/a
Meas. Tech.
ChEMBL_1471150 (CHEMBL3421040)
IC50
1770±n/a nM
Citation
 Sodji, QH; Kornacki, JR; McDonald, JF; Mrksich, M; Oyelere, AK Design and structure activity relationship of tumor-homing histone deacetylase inhibitors conjugated to folic and pteroic acids. Eur J Med Chem 96:340-59 (2015) [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:
BDBM50080004
Synonyms:
CHEMBL3415968
Type:
Small organic molecule
Emp. Form.:
C26H33N9O7
Mol. Mass.:
583.5963
SMILES:
Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCC(=O)NO)C(O)=O)nc2c(=O)[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: