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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 1 | ||
| Ligand | BDBM50568212 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2104800 (CHEMBL4813303) | ||
| IC50 | 24±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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| BDBM50568212 | |||
| n/a | |||
| Name | BDBM50568212 | ||
| Synonyms: | CHEMBL4860990 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H44N4O4 | ||
| Mol. Mass. | 572.7376 | ||
| SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCOc2ccc3cc(ccc3n2)-c2cnc1o2 |r,wU:13.12,wD:9.8,(79.6,-58.13,;78.2,-57.48,;76.96,-58.37,;77.1,-59.91,;75.56,-57.74,;74.31,-58.63,;72.91,-57.99,;71.65,-58.87,;70.27,-58.24,;69.01,-59.13,;69.15,-60.65,;70.55,-61.31,;71.8,-60.41,;70.7,-62.82,;71.59,-64.07,;70.06,-64.21,;68.68,-63.43,;67.32,-64.21,;67.32,-65.79,;68.69,-66.59,;70.07,-65.8,;65.92,-66.59,;64.48,-65.02,;62.43,-65.43,;59.65,-62.19,;56.5,-60.66,;56.51,-58.58,;58.08,-58.26,;58.58,-56.78,;60.1,-56.48,;61.13,-57.64,;62.62,-57.36,;63.64,-58.51,;63.15,-59.97,;61.65,-60.28,;60.63,-59.12,;59.11,-59.42,;65.15,-58.21,;65.78,-56.81,;67.31,-56.98,;67.61,-58.49,;66.28,-59.24,)| | ||
| Structure | 
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