| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Epidermal growth factor receptor |
|---|
| Ligand | BDBM4779 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1566936 (CHEMBL3790960) |
|---|
| IC50 | 6.0±n/a nM |
|---|
| Citation |  Cheng, H; Nair, SK; Murray, BW; Almaden, C; Bailey, S; Baxi, S; Behenna, D; Cho-Schultz, S; Dalvie, D; Dinh, DM; Edwards, MP; Feng, JL; Ferre, RA; Gajiwala, KS; Hemkens, MD; Jackson-Fisher, A; Jalaie, M; Johnson, TO; Kania, RS; Kephart, S; Lafontaine, J; Lunney, B; Liu, KK; Liu, Z; Matthews, J; Nagata, A; Niessen, S; Ornelas, MA; Orr, ST; Pairish, M; Planken, S; Ren, S; Richter, D; Ryan, K; Sach, N; Shen, H; Smeal, T; Solowiej, J; Sutton, S; Tran, K; Tseng, E; Vernier, W; Walls, M; Wang, S; Weinrich, SL; Xin, S; Xu, H; Yin, MJ; Zientek, M; Zhou, R; Kath, JC Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. J Med Chem59:2005-24 (2016) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Epidermal growth factor receptor |
|---|
| Name: | Epidermal growth factor receptor |
|---|
| Synonyms: | EGF Receptor Substrate | EGFR | EGFR_HUMAN | ERBB | ERBB1 | Epidermal Growth Factor Receptor Tyrosine Kinase | Epidermal Growth Factor Receptor erbB-1 | Epidermal Growth Factor Receptor, ErbB-1 | Epidermal growth factor receptor (EGFR) | Epidermal growth factor receptor (HER1) | HER1 | Protein-Tyrosine Kinase Erbb-1 | Proto-oncogene c-ErbB-1 | Receptor tyrosine-protein kinase ErbB-1 | Tyrosine-Protein Kinase ErbB-1 |
|---|
| Type: | Receptor Kinase Domain |
|---|
| Mol. Mass.: | 134279.59 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P00533 |
|---|
| Residue: | 1210 |
|---|
| Sequence: | MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEV
VLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALA
VLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDF
QNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGC
TGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYV
VTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFK
NCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAF
ENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKL
FGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCN
LLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVM
GENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVV
ALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGS
GAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGI
CLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAA
RNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSY
GVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPK
FRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQ
QGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTED
SIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLN
TVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRV
APQSSEFIGA
|
|
|
|---|
| BDBM4779 |
|---|
| n/a |
|---|
| Name | BDBM4779 |
|---|
| Synonyms: | CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide | PD0183805 | US10507209, Compound CI-1033 | US9730934, CI-1033 | cid_156414 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H25ClFN5O3 |
|---|
| Mol. Mass. | 485.938 |
|---|
| SMILES | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl |
|---|
| Structure | 
|
|---|
Search and Browse
