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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | DNA-dependent protein kinase catalytic subunit | ||
| Ligand | BDBM50526939 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1901709 (CHEMBL4403931) | ||
| IC50 | 7.9±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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| BDBM50526939 | |||
| n/a | |||
| Name | BDBM50526939 | ||
| Synonyms: | CHEMBL4552812 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H21N7O2 | ||
| Mol. Mass. | 379.4157 | ||
| SMILES | Cn1c2cnc(Nc3ccc4nccn4c3)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:22.25,wD:19.21,(4.91,-54.43,;6.41,-54.11,;7.56,-55.15,;7.56,-56.7,;8.9,-57.46,;10.22,-56.69,;11.55,-57.46,;12.89,-56.69,;14.22,-57.47,;15.56,-56.71,;15.56,-55.16,;16.7,-54.12,;16.07,-52.71,;14.54,-52.88,;14.22,-54.39,;12.89,-55.16,;10.23,-55.15,;8.89,-54.37,;8.57,-52.86,;9.59,-51.71,;11.09,-52.03,;12.12,-50.9,;11.65,-49.44,;12.68,-48.3,;10.14,-49.11,;9.11,-50.26,;7.04,-52.7,;6.27,-51.37,)| | ||
| Structure | 
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