Reaction Details |
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Target | Histone deacetylase 1 |
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Ligand | BDBM22164 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_950485 (CHEMBL2351478) |
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IC50 | 11619±n/a nM |
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Citation | Chen, JB; Chern, TR; Wei, TT; Chen, CC; Lin, JH; Fang, JM Design and synthesis of dual-action inhibitors targeting histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme A reductase for cancer treatment. J Med Chem56:3645-55 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Histone deacetylase 1 |
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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: | MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKAN
AEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAS
AVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHG
DGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAI
FKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGG
GGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLE
KIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEF
SDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVK
LA
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BDBM22164 |
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n/a |
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Name | BDBM22164 |
Synonyms: | (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid | (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid | Atorvastatin | CHEMBL1487 | CI 981 | Lipitor | US9353061, Atorvastatina |
Type | Small organic molecule |
Emp. Form. | C33H35FN2O5 |
Mol. Mass. | 558.6398 |
SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r| |
Structure |
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