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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | DNA-dependent protein kinase catalytic subunit | ||
| Ligand | BDBM50526934 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1901709 (CHEMBL4403931) | ||
| IC50 | 10.0±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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| BDBM50526934 | |||
| n/a | |||
| Name | BDBM50526934 | ||
| Synonyms: | CHEMBL4466619 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H23N5O3 | ||
| Mol. Mass. | 369.4176 | ||
| SMILES | COc1ccc(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:19.19,wD:16.15,(17.81,-39.24,;16.48,-38.47,;15.15,-39.24,;15.15,-40.78,;13.81,-41.55,;12.48,-40.77,;11.14,-41.53,;9.81,-40.76,;8.49,-41.53,;7.15,-40.77,;7.15,-39.22,;6,-38.19,;4.5,-38.51,;6.63,-36.78,;5.86,-35.44,;8.16,-36.94,;9.18,-35.79,;10.68,-36.11,;11.71,-34.97,;11.24,-33.51,;12.27,-32.37,;9.73,-33.19,;8.7,-34.33,;8.48,-38.45,;9.82,-39.22,;12.48,-39.23,;13.81,-38.46,)| | ||
| Structure | 
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