Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [669-770,'SVD',771-1210]
Ligand
BDBM552597
Substrate
n/a
Meas. Tech.
Exon20-mutant-EGFR(D770_N771insSVD) kinase assay
IC50
3.55±n/a nM
Citation
Stephan, S; Franziska, S; Volker, S; Markus, B; Keith, G; Ulrich, K; G., MJ; Detlev, S; Ulf, B; Daniel, K; Jens, S; Matthew, M; Heidi, G; Bethany, K N-[2-({4-[3-(ANILINO)-4-OXO-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]PYRIDIN-3-YL)OXY)ETHYL]PROP-2-ENAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER WIPO 0:0 (2022) [PubMed]
More Info.:
Target
Name:
Epidermal growth factor receptor [669-770,'SVD',771-1210]
Synonyms:
EGFR | EGFR_HUMAN | ERBB | ERBB1 | Epidermal growth factor receptor [669-769,''ASV'',770-1210] | Epidermal growth factor receptor [669-769,'ASV',770-1210] | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
61473.15
Organism:
Homo sapiens (Human)
Description:
P00533[669-770,'SVD',771-1210]
Residue:
545
Sequence:
RRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDSVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
Inhibitor
Name:
BDBM552597
Synonyms:
(2E)-N-[2-({4-[3'-(3-chloro-2-methoxyanilino)-4'-oxo-1',4',5',7'-tetrahydrospiro[cyclobutane-1,6'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-3-yl}oxy)ethyl]-4-(dimethylamino)-N-methylbut-2-enamide | WO2022101184, Example 10
Type:
Small organic molecule
Emp. Form.:
C31H37ClN6O4
Mol. Mass.:
593.116
SMILES:
COc1c(Cl)cccc1Nc1c([nH]c2CC3(CCC3)NC(=O)c12)-c1ccncc1OCCN(C)C(=O)\C=C\CN(C)C