Reaction Details | |||
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Target | Histone-lysine N-methyltransferase EZH2 [Y641F] | ||
Ligand | BDBM172173 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | PRC2 Enzyme Assays | ||
IC50 | 2.23±n/a nM | ||
Citation | Kuntz, KW; Chesworth, R; Duncan, KW; Keilhack, H; Warholic, N; Klaus, C; Knutson, SK; Wigle, TJ; Seki, M; Shirotori, S; Kawano, S Aryl- or heteroaryl-substituted benzene compounds US Patent US10155002 Publication Date 12/18/2018 | ||
More Info.: | Get all data from this article, Assay Method | ||
Histone-lysine N-methyltransferase EZH2 [Y641F] | |||
Name: | Histone-lysine N-methyltransferase EZH2 [Y641F] | ||
Synonyms: | EZH2 | EZH2(Y641F) | EZH2_HUMAN | Histone-lysine N-methyltransferase EZH2 (Y641F) | KMT6 | ||
Type: | n/a | ||
Mol. Mass.: | 85351.84 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q15910[Y641F] | ||
Residue: | 746 | ||
Sequence: |
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BDBM172173 | |||
n/a | |||
Name | BDBM172173 | ||
Synonyms: | US10155002, Compound 181 | US11052093, Compound 181 | US9090562, 181 | ||
Type | Small organic molecule | ||
Emp. Form. | C36H47N5O3 | ||
Mol. Mass. | 597.7901 | ||
SMILES | CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)N1CCC1 |r,wU:3.2,wD:6.9,(2.28,8,;1.51,6.67,;2.28,5.33,;3.82,5.33,;4.59,6.67,;6.13,6.67,;6.9,5.33,;6.13,4,;4.59,4,;8.44,5.33,;9.21,4,;9.21,6.67,;1.51,4,;-.03,4,;-.8,2.67,;-.03,1.33,;1.51,1.33,;2.28,,;3.82,,;1.51,-1.33,;2.28,-2.67,;1.51,-4,;2.28,-5.33,;3.82,-5.33,;1.51,-6.67,;-.03,-6.67,;-.8,-8,;-.8,-5.33,;-.03,-4,;-.8,-2.67,;2.28,2.67,;3.82,2.67,;-2.34,2.67,;-3.11,4,;-4.65,4,;-5.42,2.67,;-4.65,1.33,;-3.11,1.33,;-6.96,2.67,;-7.73,1.33,;-7.73,4,;-7.33,5.49,;-8.82,5.89,;-9.21,4.4,)| | ||
Structure |