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Target
Histone deacetylase 1
Ligand
BDBM50499325
Substrate
n/a
Meas. Tech.
ChEMBL_1539490 (CHEMBL3737280)
IC50
50±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:
BDBM50499325
Synonyms:
CHEMBL4299488
Type:
Small organic molecule
Emp. Form.:
C56H97N7O14
Mol. Mass.:
1092.4079
SMILES:
[H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@H]1C |r|
Structure:
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