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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Receptor tyrosine-protein kinase erbB-2 | ||
| Ligand | BDBM50504104 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1813505 (CHEMBL4313079) | ||
| IC50 | >1000±n/a nM | ||
| Citation |  Wang, Y; Dai, Y; Wu, X; Li, F; Liu, B; Li, C; Liu, Q; Zhou, Y; Wang, B; Zhu, M; Cui, R; Tan, X; Xiong, Z; Liu, J; Tan, M; Xu, Y; Geng, M; Jiang, H; Liu, H; Ai, J; Zheng, M Discovery and Development of a Series of Pyrazolo[3,4- J Med Chem62:7473-7488 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Receptor tyrosine-protein kinase erbB-2 | |||
| Name: | Receptor tyrosine-protein kinase erbB-2 | ||
| 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 | ||
| Type: | n/a | ||
| Mol. Mass.: | 137894.47 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P04626 | ||
| Residue: | 1255 | ||
| Sequence: |
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| BDBM50504104 | |||
| n/a | |||
| Name | BDBM50504104 | ||
| Synonyms: | CHEMBL4446835 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H20N6O3 | ||
| Mol. Mass. | 440.454 | ||
| SMILES | Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(NC(=O)C=C)cc1 |(12.65,-38.72,;11.4,-37.83,;9.94,-38.31,;9.03,-37.07,;9.93,-35.82,;9.6,-34.32,;10.73,-33.29,;12.2,-33.76,;13.34,-32.72,;12.53,-35.26,;11.39,-36.29,;9.47,-39.77,;10.38,-41.01,;9.48,-42.26,;8.02,-41.79,;8.01,-40.26,;6.68,-39.48,;6.68,-37.94,;5.35,-40.26,;5.35,-41.8,;6.68,-42.56,;6.68,-44.1,;11.92,-41,;12.69,-42.33,;14.23,-42.32,;15,-40.98,;16.54,-40.97,;17.3,-39.63,;16.52,-38.3,;18.84,-39.62,;19.6,-38.28,;14.21,-39.65,;12.67,-39.66,)| | ||
| Structure | 
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