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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 3 | ||
| Ligand | BDBM50568206 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2104802 (CHEMBL4813305) | ||
| 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 3 | |||
| Name: | Histone deacetylase 3 | ||
| Synonyms: | HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 48829.55 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O15379 | ||
| Residue: | 428 | ||
| Sequence: |
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| BDBM50568206 | |||
| n/a | |||
| Name | BDBM50568206 | ||
| Synonyms: | CHEMBL4862470 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H47N5O2 | ||
| Mol. Mass. | 557.7693 | ||
| SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)| | ||
| Structure | 
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