Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50499346
Substrate
n/a
Meas. Tech.
ChEMBL_1539490 (CHEMBL3737280)
IC50
55±n/a nM
Citation
 Tapadar, S; Fathi, S; Raji, I; Omesiete, W; Kornacki, JR; Mwakwari, SC; Miyata, M; Mitsutake, K; Li, JD; Mrksich, M; Oyelere, AK A structure-activity relationship of non-peptide macrocyclic histone deacetylase inhibitors and their anti-proliferative and anti-inflammatory activities. Bioorg Med Chem 23:7543-64 (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:
BDBM50499346
Synonyms:
CHEMBL3736314
Type:
Small organic molecule
Emp. Form.:
C48H73N7O11
Mol. Mass.:
924.1335
SMILES:
[H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1cccc(c1)-c1cn(CCCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4|
Structure:
Search PDB for entries with ligand similarity: