Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [T790M,L858R]
Ligand
BDBM414551
Substrate
n/a
Meas. Tech.
Wild Type EGFR and Mutant EGFR Kinase Inhibition Test
IC50
25.0±n/a nM
Citation
 Lan, J; Jin, Y; Zhou, F; Xie, J; Shen, S; Hu, Y; Liu, W; Lv, Q 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom US Patent  US10435400 Publication Date 10/8/2019 
Target
Name:
Epidermal growth factor receptor [T790M,L858R]
Synonyms:
EGFR | EGFR (L858R, T790M) | EGFR_HUMAN | ERBB | ERBB1 | Epidermal growth factor receptor (EGFR) (T790M/L858R) | Epidermal growth factor receptor (EGFR)(T790M/L858R) | Epidermal growth factor receptor (T790M)(L858R) | Epidermal growth factor receptor (T790M, L858R) | Epidermal growth factor receptor (T790M/L858R) | Epidermal growth factor receptor(L858R, T790M) | HER1
Type:
n/a
Mol. Mass.:
134353.72
Organism:
Homo sapiens (Human)
Description:
P00533[T790M,L858R]
Residue:
1210
Sequence:
MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
  
Inhibitor
Name:
BDBM414551
Synonyms:
US10435400, Compound Z-91
Type:
Small organic molecule
Emp. Form.:
C25H33ClN8O2
Mol. Mass.:
513.035
SMILES:
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c(C)nn(C)c1C |(-1.61,-15.57,;-.28,-14.8,;1.05,-15.57,;1.05,-17.11,;2.39,-17.88,;2.39,-19.42,;3.72,-20.19,;1.05,-20.19,;1.05,-21.73,;2.39,-22.5,;3.72,-21.73,;2.39,-24.04,;3.72,-17.11,;5.05,-17.88,;6.54,-18.28,;7.63,-17.19,;6.94,-19.77,;8.43,-20.17,;3.72,-15.57,;2.39,-14.8,;2.39,-13.26,;3.72,-12.49,;3.72,-10.95,;5.05,-10.18,;6.39,-10.95,;7.72,-10.18,;6.39,-12.49,;5.05,-13.26,;7.72,-13.26,;9.19,-12.79,;9.96,-11.45,;10.09,-14.03,;9.19,-15.28,;9.96,-16.61,;7.72,-14.8,;6.39,-15.57,)|
Structure:
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