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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | DNA-dependent protein kinase catalytic subunit | ||
| Ligand | BDBM50526935 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1901709 (CHEMBL4403931) | ||
| IC50 | 5.0±n/a nM | ||
| Citation |  Goldberg, FW; Finlay, MRV; Ting, AKT; Beattie, D; Lamont, GM; Fallan, C; Wrigley, GL; Schimpl, M; Howard, MR; Williamson, B; Vazquez-Chantada, M; Barratt, DG; Davies, BR; Cadogan, EB; Ramos-Montoya, A; Dean, E The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5- J Med Chem63:3461-3471 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| DNA-dependent protein kinase catalytic subunit | |||
| Name: | DNA-dependent protein kinase catalytic subunit | ||
| Synonyms: | DNA-PK catalytic subunit | DNA-PKcs | DNA-dependent protein kinase (DNA-PK) | DNA-dependent protein kinase (DNPK) | DNA-dependent protein kinase catalytic subunit (DNA-PK) | DNPK1 | HYRC | HYRC1 | PRKDC | PRKDC_HUMAN | ||
| Type: | Protein | ||
| Mol. Mass.: | 469114.78 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P78527 | ||
| Residue: | 4128 | ||
| Sequence: |
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| BDBM50526935 | |||
| n/a | |||
| Name | BDBM50526935 | ||
| Synonyms: | CHEMBL4529390 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H23N7O2 | ||
| Mol. Mass. | 393.4423 | ||
| SMILES | Cc1c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)ccc2nccn12 |r,wU:16.16,wD:13.12,(36.89,-53.69,;38.22,-54.46,;38.22,-55.99,;36.88,-56.76,;35.56,-55.99,;34.23,-56.76,;32.89,-56,;32.89,-54.45,;31.74,-53.41,;30.24,-53.73,;32.37,-52,;31.6,-50.67,;33.9,-52.16,;34.92,-51.01,;36.43,-51.33,;37.45,-50.2,;36.98,-48.73,;38.01,-47.6,;35.48,-48.41,;34.44,-49.56,;34.23,-53.67,;35.57,-54.45,;39.55,-56.77,;40.89,-56.01,;40.89,-54.46,;42.04,-53.42,;41.4,-52.01,;39.87,-52.18,;39.55,-53.69,)| | ||
| Structure | 
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