Reaction Details | |||
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Target | Histone-lysine N-methyltransferase EZH2 | ||
Ligand | BDBM50541905 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1985527 (CHEMBL4618933) | ||
IC50 | 0.130000±n/a nM | ||
Citation | Khanna, A; Côté, A; Arora, S; Moine, L; Gehling, VS; Brenneman, J; Cantone, N; Stuckey, JI; Apte, S; Ramakrishnan, A; Bruderek, K; Bradley, WD; Audia, JE; Cummings, RT; Sims, RJ; Trojer, P; Levell, JR Design, Synthesis, and Pharmacological Evaluation of Second Generation EZH2 Inhibitors with Long Residence Time. ACS Med Chem Lett11:1205-1212 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Histone-lysine N-methyltransferase EZH2 | |||
Name: | Histone-lysine N-methyltransferase EZH2 | ||
Synonyms: | ENX-1 | EZH2 | EZH2_HUMAN | Enhancer of zeste homolog 2 (EZH2) | Histone-lysine N-methyltransferase EZH2 | KMT6 | Lysine N-methyltransferase 6 | ||
Type: | Protein | ||
Mol. Mass.: | 85367.84 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q15910 | ||
Residue: | 746 | ||
Sequence: |
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BDBM50541905 | |||
n/a | |||
Name | BDBM50541905 | ||
Synonyms: | CHEMBL4634677 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H38N4O3S | ||
Mol. Mass. | 522.702 | ||
SMILES | [H][C@@]1(CC[C@@H](CC1)NC1COC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:12.14,(81.15,-34.89,;80.4,-36.23,;79.62,-37.56,;80.39,-38.88,;81.93,-38.89,;82.7,-37.56,;81.93,-36.22,;82.7,-40.21,;84.24,-40.21,;85.33,-41.3,;86.42,-40.2,;85.33,-39.12,;79.62,-34.9,;80.39,-33.56,;78.08,-34.9,;77.06,-33.75,;77.38,-32.25,;75.65,-34.39,;74.32,-33.61,;74.32,-32.07,;72.98,-34.38,;71.65,-33.6,;70.31,-34.37,;70.31,-35.91,;71.64,-36.68,;71.64,-38.22,;68.98,-36.67,;67.66,-35.91,;66.32,-36.68,;67.66,-34.37,;68.98,-33.59,;68.98,-32.05,;75.81,-35.91,;74.78,-37.04,;75.26,-38.5,;76.76,-38.82,;77.78,-37.69,;77.31,-36.24,)| | ||
Structure |