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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 1 | ||
| Ligand | BDBM50568205 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2104800 (CHEMBL4813303) | ||
| IC50 | 19±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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| BDBM50568205 | |||
| n/a | |||
| Name | BDBM50568205 | ||
| Synonyms: | CHEMBL4866612 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H47N5O2 | ||
| Mol. Mass. | 557.7693 | ||
| SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.35:27.28,(51.92,-23.44,;50.53,-22.8,;49.28,-23.69,;49.42,-25.23,;47.89,-23.06,;46.63,-23.95,;45.24,-23.31,;43.98,-24.2,;42.6,-23.56,;41.34,-24.45,;41.48,-25.97,;42.87,-26.62,;44.13,-25.73,;43.03,-28.14,;43.92,-29.39,;42.39,-29.53,;41.01,-28.74,;39.65,-29.52,;39.64,-31.11,;41.02,-31.9,;42.4,-31.11,;33.18,-31.04,;32.37,-29.37,;30.9,-28.81,;30.64,-27.26,;31.86,-26.25,;31.45,-24.73,;30.95,-26.19,;31.97,-27.36,;33.49,-27.06,;33.97,-25.6,;35.49,-25.29,;35.98,-23.83,;34.96,-22.68,;33.47,-22.96,;32.96,-24.43,;37.48,-23.53,;38.11,-22.13,;39.64,-22.3,;39.95,-23.81,;38.61,-24.56,)| | ||
| Structure | 
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