Reaction Details | |||
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Target | Histone-lysine N-methyltransferase EZH2 | ||
Ligand | BDBM50541908 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1985527 (CHEMBL4618933) | ||
IC50 | 0.140000±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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BDBM50541908 | |||
n/a | |||
Name | BDBM50541908 | ||
Synonyms: | CHEMBL4637958 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H37F3N4O3S | ||
Mol. Mass. | 590.7 | ||
SMILES | [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC(F)(F)F)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:16.18,(20.18,-7.04,;19.43,-8.38,;18.65,-9.71,;19.42,-11.04,;20.96,-11.04,;21.73,-9.7,;20.96,-8.36,;21.73,-12.37,;21.33,-13.86,;22.82,-14.25,;23.22,-12.76,;23.59,-15.59,;22.82,-16.92,;23.59,-18.26,;21.28,-16.92,;22.04,-18.25,;18.65,-7.04,;19.42,-5.71,;17.11,-7.05,;16.08,-5.9,;16.41,-4.39,;14.67,-6.53,;13.35,-5.75,;13.35,-4.21,;12.01,-6.53,;10.68,-5.75,;9.34,-6.52,;9.34,-8.06,;10.67,-8.83,;10.67,-10.37,;8.01,-8.82,;6.68,-8.06,;5.35,-8.83,;6.68,-6.52,;8.01,-5.74,;8.01,-4.2,;14.84,-8.06,;13.81,-9.19,;14.28,-10.66,;15.78,-10.97,;16.81,-9.84,;16.34,-8.38,)| | ||
Structure |