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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 1 | ||
| Ligand | BDBM50568214 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2104800 (CHEMBL4813303) | ||
| IC50 | 0.200000±n/a nM | ||
| Citation |  Yu, W; Fells, J; Clausen, D; Liu, J; Klein, DJ; Christine Chung, C; Myers, RW; Wu, J; Wu, G; Howell, BJ; Barnard, RJO; Kozlowski, J Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg Med Chem Lett47:0 (2021) [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: |
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| BDBM50568214 | |||
| n/a | |||
| Name | BDBM50568214 | ||
| Synonyms: | CHEMBL4860000 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C37H51N5O3 | ||
| Mol. Mass. | 613.8325 | ||
| SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(54.03,-3.3,;52.63,-2.65,;51.39,-3.55,;51.52,-5.08,;49.99,-2.91,;48.73,-3.8,;47.34,-3.16,;46.08,-4.04,;44.69,-3.4,;43.44,-4.3,;43.59,-5.82,;44.98,-6.47,;46.23,-5.57,;45.14,-7.99,;46.02,-9.24,;44.49,-9.38,;43.11,-8.59,;41.76,-9.38,;41.75,-10.96,;43.12,-11.75,;44.51,-10.96,;40.36,-11.76,;38.97,-10.95,;37.58,-11.75,;36.09,-10.67,;34.26,-10.81,;32.5,-6.91,;30.88,-5.99,;31.12,-4.14,;32.53,-3.43,;33.01,-1.95,;34.54,-1.65,;35.57,-2.81,;37.06,-2.53,;38.07,-3.68,;37.59,-5.14,;36.08,-5.44,;35.07,-4.29,;33.55,-4.59,;33.04,-6.11,;39.58,-3.38,;40.22,-1.98,;41.75,-2.16,;42.05,-3.66,;40.71,-4.41,)| | ||
| Structure | 
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