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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone-lysine N-methyltransferase, H3 lysine-79 specific | ||
| Ligand | BDBM50536823 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1934645 (CHEMBL4480297) | ||
| IC50 | 1100±n/a nM | ||
| Citation |  Chen, C; Zhu, H; Stauffer, F; Caravatti, G; Vollmer, S; Machauer, R; Holzer, P; Möbitz, H; Scheufler, C; Klumpp, M; Tiedt, R; Beyer, KS; Calkins, K; Guthy, D; Kiffe, M; Zhang, J; Gaul, C Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. ACS Med Chem Lett7:735-40 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | |||
| Name: | Histone-lysine N-methyltransferase, H3 lysine-79 specific | ||
| Synonyms: | 2.1.1.43 | DOT1-like protein | DOT1-like protein (Dot1L) | DOT1L | DOT1L_HUMAN | H3-K79-HMTase | Histone H3-K79 methyltransferase | Histone H3-K79 methyltransferase (DOT1L) | Histone Methyltransferase DOT1L | Histone-lysine N-methyltransferase, H3 lysine-79 specific (DOT1L) | KIAA1814 | KMT4 | Lysine N-methyltransferase 4 | ||
| Type: | Protein | ||
| Mol. Mass.: | 184911.91 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q8TEK3 | ||
| Residue: | 1537 | ||
| Sequence: |
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| BDBM50536823 | |||
| n/a | |||
| Name | BDBM50536823 | ||
| Synonyms: | CHEMBL4535054 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H14ClN5O | ||
| Mol. Mass. | 351.79 | ||
| SMILES | Cc1cc2ccc(Nc3nc(=O)cc[nH]3)cc2n1-c1cccnc1Cl |(1.3,-32.33,;2.84,-32.33,;3.75,-31.09,;5.21,-31.57,;6.54,-30.79,;7.87,-31.56,;7.88,-33.11,;9.21,-33.87,;10.55,-33.1,;10.53,-31.57,;11.87,-30.8,;11.87,-29.26,;13.2,-31.57,;13.2,-33.11,;11.87,-33.88,;6.54,-33.88,;5.21,-33.11,;3.74,-33.58,;3.27,-35.04,;1.76,-35.36,;1.28,-36.82,;2.31,-37.97,;3.82,-37.64,;4.3,-36.18,;5.8,-35.86,)| | ||
| Structure | 
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