| Reaction Details |
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 | Report a problem with these data |
| Target | Epidermal growth factor receptor |
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| Ligand | BDBM3688 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_468986 (CHEMBL952131) |
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| IC50 | 0.812831±n/a nM |
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| Citation |  Kolb, P; Huang, D; Dey, F; Caflisch, A Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model. J Med Chem51:1179-88 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Epidermal growth factor receptor |
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| Name: | Epidermal growth factor receptor |
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| 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 |
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| Type: | Receptor Kinase Domain |
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| Mol. Mass.: | 134279.59 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00533 |
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| Residue: | 1210 |
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| Sequence: | MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEV
VLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALA
VLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDF
QNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGC
TGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYV
VTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFK
NCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAF
ENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKL
FGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCN
LLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVM
GENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVV
ALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGS
GAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGI
CLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAA
RNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSY
GVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPK
FRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQ
QGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTED
SIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLN
TVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRV
APQSSEFIGA
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| BDBM3688 |
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| n/a |
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| Name | BDBM3688 |
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| Synonyms: | 4-[(3-Bromophenyl)amino]-6-[[2-(4-morpholino)ethyl]-amino]pyrimido[5,4-d]pyrimidine | 4-anilinopyrimido[5,4-d]pyrimidine deriv. 5g | 8-N-(3-bromophenyl)-2-N-[2-(morpholin-4-yl)ethyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
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| Type | Small organic molecule |
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| Emp. Form. | C18H20BrN7O |
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| Mol. Mass. | 430.302 |
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| SMILES | Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1 |
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| Structure | 
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