Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone-lysine N-methyltransferase, H3 lysine-79 specific | ||
| Ligand | BDBM50536829 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1934645 (CHEMBL4480297) | ||
| IC50 | 4100±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: |
| ||
| BDBM50536829 | |||
| n/a | |||
| Name | BDBM50536829 | ||
| Synonyms: | CHEMBL4534587 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C17H14ClN5O | ||
| Mol. Mass. | 339.779 | ||
| SMILES | Cc1cc2ccc(NC3=NC(=O)CN3)cc2n1-c1cccnc1Cl |t:8,(27.3,-32.29,;28.84,-32.29,;29.74,-31.05,;31.2,-31.52,;32.53,-30.75,;33.87,-31.51,;33.87,-33.06,;35.21,-33.83,;36.54,-33.06,;36.7,-31.52,;38.2,-31.19,;38.83,-29.79,;38.98,-32.53,;37.95,-33.67,;32.54,-33.83,;31.2,-33.06,;29.74,-33.54,;29.26,-35,;27.76,-35.31,;27.28,-36.78,;28.31,-37.93,;29.82,-37.6,;30.29,-36.14,;31.8,-35.82,)| | ||
| Structure | 
| ||