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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 1 | ||
| Ligand | BDBM50148630 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1556979 (CHEMBL3772310) | ||
| IC50 | 3480±n/a nM | ||
| Citation |  Reddy, DN; Ballante, F; Chuang, T; Pirolli, A; Marrocco, B; Marshall, GR Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors. J Med Chem59:1613-33 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Histone deacetylase 1 | |||
| 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: |
| ||
| BDBM50148630 | |||
| n/a | |||
| Name | BDBM50148630 | ||
| Synonyms: | CHEMBL3771206 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H33N3O5S2 | ||
| Mol. Mass. | 531.687 | ||
| SMILES | CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccc(CNC(=O)C[C@H](OC1=O)\C=C\CCSC(C)=O)cc2 |r,wU:22.27,wD:3.2,7.7,c:11,(-2.44,-5.97,;-3.02,-4.88,;-4.25,-4.85,;-2.21,-3.56,;-3.34,-2.53,;-4.03,-1.15,;-5.22,-1.48,;-4.17,.39,;-3.28,-.46,;-2.34,.31,;-1.66,1.69,;-2.82,3.1,;-3.75,1.87,;-1.51,3.91,;-.42,1.95,;1.1,1.67,;2.82,3.1,;3.75,1.87,;4.17,.39,;4.03,-1.15,;5.22,-1.48,;3.34,-2.53,;2.21,-3.56,;.77,-4.12,;-.77,-4.12,;-1,-5.33,;3.02,-4.88,;4.56,-4.83,;5.38,-6.14,;6.92,-6.09,;7.73,-7.4,;9.27,-7.35,;9.85,-6.26,;9.92,-8.39,;1.51,3.91,;,4.19,)| | ||
| Structure | 
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