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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | DNA-dependent protein kinase catalytic subunit | ||
| Ligand | BDBM50594892 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2214617 (CHEMBL5127749) | ||
| Ki | <100±n/a nM | ||
| Citation |  Cheng, B; Pan, W; Xing, Y; Xiao, Y; Chen, J; Xu, Z Recent advances in DDR (DNA damage response) inhibitors for cancer therapy. Eur J Med Chem230:0 (2022) [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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| BDBM50594892 | |||
| n/a | |||
| Name | BDBM50594892 | ||
| Synonyms: | CHEMBL5192303 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H25FN6O3 | ||
| Mol. Mass. | 440.4707 | ||
| SMILES | Fc1cnc(N[C@H]2CC[C@H](CC2)Oc2cc(cc3nccnc23)N2CCOCC2)[nH]c1=O |r,wU:9.12,6.5,(-4.67,-5.78,;-4.67,-4.24,;-5.99,-3.48,;-6,-1.94,;-4.66,-1.17,;-4.66,.37,;-3.33,1.14,;-3.33,2.68,;-2,3.45,;-.66,2.68,;-.66,1.14,;-2,.37,;.67,3.45,;2,2.68,;2.02,1.15,;3.36,.39,;4.68,1.17,;4.68,2.7,;6,3.47,;6,5.01,;4.67,5.78,;3.34,5.01,;3.34,3.47,;3.36,-1.15,;4.69,-1.92,;4.69,-3.46,;3.36,-4.23,;2.02,-3.46,;2.02,-1.92,;-3.33,-1.94,;-3.33,-3.47,;-2,-4.24,)| | ||
| Structure | 
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