Reaction Details | |||
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Target | Histone-lysine N-methyltransferase EZH2 | ||
Ligand | BDBM50541910 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1985527 (CHEMBL4618933) | ||
IC50 | 0.072000±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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BDBM50541910 | |||
n/a | |||
Name | BDBM50541910 | ||
Synonyms: | CHEMBL4635863 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H42N4O3S | ||
Mol. Mass. | 562.766 | ||
SMILES | [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC1CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:15.18,(67.36,-7.96,;66.6,-9.3,;65.83,-10.63,;66.6,-11.96,;68.14,-11.96,;68.9,-10.62,;68.14,-9.28,;68.91,-13.29,;68.51,-14.78,;70,-15.17,;70.39,-13.68,;70.76,-16.51,;70,-17.84,;68.67,-18.61,;70,-19.38,;65.82,-7.96,;66.59,-6.63,;64.29,-7.97,;63.26,-6.82,;63.59,-5.31,;61.85,-7.45,;60.53,-6.68,;60.53,-5.14,;59.19,-7.45,;57.86,-6.67,;56.52,-7.44,;56.52,-8.98,;57.85,-9.75,;57.85,-11.29,;55.19,-9.74,;53.86,-8.98,;52.52,-9.75,;53.86,-7.44,;55.19,-6.66,;55.19,-5.12,;62.02,-8.98,;60.99,-10.11,;61.45,-11.58,;62.96,-11.89,;63.99,-10.76,;63.52,-9.3,)| | ||
Structure |