Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525485
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
225±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 
Target
Name:
Epidermal growth factor receptor [695-1022]
Synonyms:
EGFR | EGFR (aa 695-1022) | EGFR_HUMAN | ERBB | ERBB1 | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37339.79
Organism:
Homo sapiens (Human)
Description:
P00533[695-1022]
Residue:
328
Sequence:
SGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
  
Inhibitor
Name:
BDBM525485
Synonyms:
US11174245, # I-135
Type:
Small organic molecule
Emp. Form.:
C28H32FN7O3
Mol. Mass.:
533.5972
SMILES:
Cn1cc(cn1)-c1cc(cc(F)n1)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:32.36,35.40,(7.08,-4.73,;7.08,-3.19,;5.83,-2.28,;6.31,-.82,;7.85,-.82,;8.33,-2.28,;5.54,.52,;4,.52,;3.23,1.85,;4,3.19,;5.54,3.19,;6.31,4.52,;6.31,1.85,;1.69,1.85,;.92,3.19,;.92,.52,;-.62,.52,;-1.53,1.76,;-2.99,1.29,;-4.32,2.06,;-5.66,1.29,;-6.99,2.06,;-6.99,3.6,;-5.66,4.37,;-5.66,5.91,;-6.99,6.68,;-8.33,5.91,;-8.33,4.37,;-5.66,-.25,;-4.32,-1.02,;-2.99,-.25,;-1.53,-.73,;-1.13,-2.22,;-2.22,-3.3,;-1.82,-4.79,;-.33,-5.19,;.07,-6.68,;.76,-4.1,;.36,-2.61,)|
Structure:
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