Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525507
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
557±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:
BDBM525507
Synonyms:
US11174245, # I-175
Type:
Small organic molecule
Emp. Form.:
C26H25FN4O3
Mol. Mass.:
460.5001
SMILES:
COc1c(F)cccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(5.6,3.6,;6.37,2.26,;5.6,.93,;6.37,-.4,;7.91,-.4,;5.6,-1.74,;4.06,-1.74,;3.29,-.4,;4.06,.93,;3.29,2.26,;1.75,2.26,;.98,3.6,;1.75,4.93,;3.29,4.93,;4.06,3.6,;-.56,3.6,;-1.33,4.93,;-1.33,2.26,;-2.87,2.26,;-3.78,3.51,;-5.24,3.03,;-6.57,3.8,;-7.91,3.03,;-7.91,1.49,;-6.57,.72,;-5.24,1.49,;-3.78,1.02,;-3.38,-.47,;-4.47,-1.56,;-4.07,-3.05,;-2.58,-3.44,;-2.18,-4.93,;-1.49,-2.36,;-1.89,-.87,)|
Structure:
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