Reaction Details | |||
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Target | DNA-dependent protein kinase catalytic subunit | ||
Ligand | BDBM50577302 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2129934 (CHEMBL4839363) | ||
IC50 | 32±n/a nM | ||
Citation | Berger, M; Wortmann, L; Buchgraber, P; Lücking, U; Zitzmann-Kolbe, S; Wengner, AM; Bader, B; Bömer, U; Briem, H; Eis, K; Rehwinkel, H; Bartels, F; Moosmayer, D; Eberspächer, U; Lienau, P; Hammer, S; Schatz, CA; Wang, Q; Wang, Q; Mumberg, D; Nising, CF; Siemeister, G BAY-8400: A Novel Potent and Selective DNA-PK Inhibitor which Shows Synergistic Efficacy in Combination with Targeted Alpha Therapies. J Med Chem64:12723-12737 (2021) [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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BDBM50577302 | |||
n/a | |||
Name | BDBM50577302 | ||
Synonyms: | CHEMBL4860129 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H21F2N5O | ||
Mol. Mass. | 409.4318 | ||
SMILES | CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)| | ||
Structure |