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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 3 | ||
| Ligand | BDBM50568204 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2104802 (CHEMBL4813305) | ||
| IC50 | 0.860000±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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| BDBM50568204 | |||
| n/a | |||
| Name | BDBM50568204 | ||
| Synonyms: | CHEMBL4854377 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H45N5O2 | ||
| Mol. Mass. | 555.7534 | ||
| SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)C\C=C\CN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,t:24,TLB:24:25:30.35:27.28,(23.45,-24.5,;22.06,-23.86,;20.81,-24.75,;20.95,-26.28,;19.42,-24.11,;18.17,-25,;16.77,-24.37,;15.52,-25.25,;14.13,-24.61,;12.87,-25.5,;13.01,-27.03,;14.4,-27.67,;15.66,-26.78,;14.57,-29.2,;15.45,-30.45,;13.92,-30.58,;12.54,-29.79,;11.18,-30.58,;11.18,-32.16,;12.55,-32.95,;13.93,-32.17,;4.16,-31.99,;3.9,-30.43,;2.43,-29.87,;2.17,-28.31,;3.4,-27.31,;2.98,-25.79,;2.48,-27.25,;3.5,-28.41,;5.02,-28.11,;5.51,-26.65,;7.02,-26.34,;7.51,-24.88,;6.49,-23.73,;5,-24.02,;4.5,-25.49,;9.01,-24.58,;9.64,-23.19,;11.17,-23.36,;11.48,-24.86,;10.14,-25.62,)| | ||
| Structure | 
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