Reaction Details | |||
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Target | Epidermal growth factor receptor [695-745,751-1022,T790M,C797S] | ||
Ligand | BDBM525547 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical EGFR Inhibition Assays (5 mM ATP) | ||
IC50 | 0.200±n/a nM | ||
Citation | Boese, D; Dahmann, G; Engelhardt, H; Petronczki, M; Scharn, D Benzimidazole compounds and derivatives as EGFR inhibitors US Patent US11174245 Publication Date 11/16/2021 | ||
More Info.: | Get all data from this article, Assay Method | ||
Epidermal growth factor receptor [695-745,751-1022,T790M,C797S] | |||
Name: | Epidermal growth factor receptor [695-745,751-1022,T790M,C797S] | ||
Synonyms: | EGFR | EGFR (aa 895-745, aa 751-1022, T790M, C797S) | EGFR_HUMAN | ERBB | ERBB1 | HER1 | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 36756.18 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P00533[695-745,751-1022,T790M,C797S] | ||
Residue: | 323 | ||
Sequence: |
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BDBM525547 | |||
n/a | |||
Name | BDBM525547 | ||
Synonyms: | US11174245, # I-225 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H37N7O2 | ||
Mol. Mass. | 527.6605 | ||
SMILES | CN1CCC(CC1)c1ccc2[nH]\c(=N/C(=O)c3cc(C)nc(c3)-c3cnn(C)c3)n([C@@H]3CC[C@H](O)CC3)c2c1 |r,wU:30.32,33.36,(-9.66,-2.25,;-8.33,-1.48,;-8.33,.06,;-6.99,.83,;-5.66,.06,;-5.66,-1.48,;-6.99,-2.25,;-4.32,.83,;-4.32,2.37,;-2.99,3.14,;-1.66,2.37,;-.19,2.84,;.71,1.6,;2.25,1.6,;3.02,2.93,;2.25,4.26,;4.56,2.93,;5.33,4.26,;6.87,4.26,;7.64,5.6,;7.64,2.93,;6.87,1.6,;5.33,1.6,;7.64,.26,;9.18,.26,;9.66,-1.2,;8.41,-2.11,;8.41,-3.65,;7.17,-1.2,;-.19,.35,;.21,-1.14,;-.88,-2.22,;-.48,-3.71,;1,-4.11,;1.4,-5.6,;2.09,-3.02,;1.69,-1.53,;-1.66,.83,;-2.99,.06,)| | ||
Structure |