| Reaction Details |
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 | Report a problem with these data |
| Target | Receptor tyrosine-protein kinase erbB-2 |
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| Ligand | BDBM50299490 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_591075 (CHEMBL1052828) |
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| IC50 | 21±n/a nM |
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| Citation |  Gavai, AV; Fink, BE; Fairfax, DJ; Martin, GS; Rossiter, LM; Holst, CL; Kim, SH; Leavitt, KJ; Mastalerz, H; Han, WC; Norris, D; Goyal, B; Swaminathan, S; Patel, B; Mathur, A; Vyas, DM; Tokarski, JS; Yu, C; Oppenheimer, S; Zhang, H; Marathe, P; Fargnoli, J; Lee, FY; Wong, TW; Vite, GD Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases. J Med Chem52:6527-30 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Receptor tyrosine-protein kinase erbB-2 |
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| Name: | Receptor tyrosine-protein kinase erbB-2 |
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| Synonyms: | 2.7.10.1 | C-erbB-2 | CD_antigen=CD340 | ERBB2 | ERBB2_HUMAN | ErbB-2/ErbB-3 heterodimer | FASN/HER2 | HER-2 Substrate | HER2 | MLN 19 | MLN19 | Metastatic lymph node gene 19 protein | NEU | NGL | Proto-oncogene Neu | Proto-oncogene c-ErbB-2 | Tyrosine kinase-type cell surface receptor HER2 | p185erbB2 |
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| Type: | n/a |
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| Mol. Mass.: | 137894.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P04626 |
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| Residue: | 1255 |
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| Sequence: | MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNL
ELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNG
DPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLA
LTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQC
AAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACP
YNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSAN
IQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLP
DLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTV
PWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQEC
VEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARC
PSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVG
ILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETEL
RKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSP
YVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVR
LVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFT
HQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWM
IDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDA
EEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEG
AGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYV
NQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQ
GGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
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| BDBM50299490 |
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| n/a |
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| Name | BDBM50299490 |
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| Synonyms: | CHEMBL567873 | {4-(1-Benzyl-1H-indazol-5-ylamino)-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl}-carbamic acid,(3S)-3-morpholinylmethyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C28H30N8O3 |
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| Mol. Mass. | 526.5896 |
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| SMILES | CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,c:5,20,22,t:2| |
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| Structure | 
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