Reaction Details | |||
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Target | Epidermal growth factor receptor [695-745,751-1022,T790M,C797S] | ||
Ligand | BDBM525541 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical EGFR Inhibition Assays (5 mM ATP) | ||
IC50 | 0.100±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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BDBM525541 | |||
n/a | |||
Name | BDBM525541 | ||
Synonyms: | US11174245, # I-219 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H35N7O3 | ||
Mol. Mass. | 541.644 | ||
SMILES | CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3ccnc(c3)-c3cnn(C)c3)[nH]c2c1 |r,wU:14.14,17.18,(-10.33,3.98,;-8.99,4.75,;-8.99,6.29,;-7.66,3.98,;-6.32,4.75,;-4.99,3.98,;-4.99,2.44,;-6.32,1.67,;-7.66,2.44,;-3.66,1.67,;-3.66,.13,;-2.32,-.64,;-.99,.13,;.47,-.34,;.87,-1.83,;-.22,-2.92,;.18,-4.41,;1.67,-4.81,;2.07,-6.29,;2.76,-3.72,;2.36,-2.23,;1.38,.9,;2.92,.9,;3.69,2.24,;2.92,3.57,;5.23,2.24,;6,3.57,;7.54,3.57,;8.31,2.24,;7.54,.9,;6,.9,;8.31,-.43,;9.85,-.43,;10.33,-1.9,;9.08,-2.8,;9.08,-4.34,;7.83,-1.9,;.47,2.15,;-.99,1.67,;-2.32,2.44,)| | ||
Structure |