Reaction Details | |||
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Target | Histone-lysine N-methyltransferase, H3 lysine-79 specific | ||
Ligand | BDBM50536826 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1934645 (CHEMBL4480297) | ||
IC50 | 0.400000±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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BDBM50536826 | |||
n/a | |||
Name | BDBM50536826 | ||
Synonyms: | CHEMBL4590355 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H24N8O | ||
Mol. Mass. | 476.5325 | ||
SMILES | CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5n(C)cnc5c4)c3c2)n1 |(29.26,-10.25,;27.93,-11.02,;27.94,-12.56,;29.28,-13.33,;29.28,-14.87,;27.95,-15.64,;26.62,-14.88,;25.29,-15.64,;23.96,-14.88,;23.95,-13.33,;22.62,-12.56,;21.29,-13.34,;19.82,-12.85,;18.9,-14.1,;17.36,-14.08,;19.8,-15.36,;19.31,-16.81,;20.33,-17.95,;19.85,-19.4,;18.34,-19.72,;17.32,-18.56,;17.81,-17.11,;16.79,-15.96,;15.29,-16.26,;14.81,-17.71,;13.31,-18.01,;12.29,-16.86,;10.74,-16.84,;9.83,-18.07,;10.28,-15.37,;11.54,-14.47,;12.78,-15.39,;14.28,-15.1,;21.28,-14.89,;22.62,-15.65,;26.61,-13.34,)| | ||
Structure |