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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 3 | ||
| Ligand | BDBM50568213 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2104802 (CHEMBL4813305) | ||
| IC50 | 0.320000±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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| BDBM50568213 | |||
| n/a | |||
| Name | BDBM50568213 | ||
| Synonyms: | CHEMBL4869000 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H47N5O4 | ||
| Mol. Mass. | 601.7788 | ||
| SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(27.19,-4.47,;25.79,-3.82,;24.56,-4.71,;24.69,-6.24,;23.15,-4.08,;21.91,-4.96,;20.51,-4.33,;19.26,-5.21,;17.87,-4.58,;16.62,-5.46,;16.76,-6.99,;18.16,-7.64,;19.41,-6.74,;18.31,-9.15,;19.19,-10.4,;17.67,-10.54,;16.29,-9.76,;14.94,-10.54,;14.93,-12.12,;16.3,-12.91,;17.68,-12.12,;13.54,-12.91,;12.05,-11.67,;10.16,-12.03,;8.16,-8.93,;4.6,-8.03,;3.64,-6.43,;4.15,-4.92,;5.72,-4.6,;6.21,-3.12,;7.73,-2.82,;8.75,-3.98,;10.24,-3.69,;11.27,-4.85,;10.77,-6.31,;9.28,-6.61,;8.26,-5.45,;6.74,-5.75,;6.23,-7.27,;12.76,-4.55,;13.4,-3.15,;14.93,-3.33,;15.22,-4.83,;13.9,-5.58,)| | ||
| Structure | 
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