Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | DNA-dependent protein kinase catalytic subunit | ||
Ligand | BDBM50526941 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1901709 (CHEMBL4403931) | ||
IC50 | 2.0±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: |
| ||
BDBM50526941 | |||
n/a | |||
Name | BDBM50526941 | ||
Synonyms: | CHEMBL4459057 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H23N5O3 | ||
Mol. Mass. | 369.4176 | ||
SMILES | COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1 |r,wU:18.18,wD:15.14,(42.18,-22.41,;40.84,-21.64,;39.51,-22.42,;38.17,-21.65,;36.84,-22.42,;36.84,-23.97,;35.5,-24.73,;34.17,-23.97,;32.85,-24.73,;31.52,-23.97,;31.51,-22.42,;30.37,-21.39,;30.99,-19.99,;30.22,-18.65,;32.52,-20.15,;33.54,-19.01,;35.04,-19.33,;36.06,-18.19,;35.59,-16.73,;36.62,-15.59,;34.09,-16.41,;33.06,-17.55,;32.84,-21.65,;34.18,-22.43,;38.17,-24.74,;38.17,-26.28,;39.51,-23.97,)| | ||
Structure |