| Reaction Details |
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 | Report a problem with these data |
| Target | Mitogen-activated protein kinase 3 |
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| Ligand | BDBM50458803 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1764717 (CHEMBL4199964) |
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| IC50 | 20±n/a nM |
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| Citation |  Boga, SB; Deng, Y; Zhu, L; Nan, Y; Cooper, AB; Shipps, GW; Doll, R; Shih, NY; Zhu, H; Sun, R; Wang, T; Paliwal, S; Tsui, HC; Gao, X; Yao, X; Desai, J; Wang, J; Alhassan, AB; Kelly, J; Patel, M; Muppalla, K; Gudipati, S; Zhang, LK; Buevich, A; Hesk, D; Carr, D; Dayananth, P; Black, S; Mei, H; Cox, K; Sherborne, B; Hruza, AW; Xiao, L; Jin, W; Long, B; Liu, G; Taylor, SA; Kirschmeier, P; Windsor, WT; Bishop, R; Samatar, AA MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett9:761-767 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Mitogen-activated protein kinase 3 |
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| Name: | Mitogen-activated protein kinase 3 |
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| Synonyms: | ERK1 | ERK1/ERK2 | Extracellular signal-regulated kinase 1 | Extracellular signal-regulated kinase 1 (ERK1) | MAP kinase ERK1 | MAPK3 | MAPK3/MAPK7 | MK03_HUMAN | Mitogen-activated protein kinase | Mitogen-activated protein kinase 3 | PRKM3 |
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| Type: | Protein |
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| Mol. Mass.: | 43136.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | curated by PDB 4QTB |
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| Residue: | 379 |
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| Sequence: | MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAY
DHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYI
VQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDL
KICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLS
NRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSD
SKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERL
KELIFQETARFQPGVLEAP
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| BDBM50458803 |
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| n/a |
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| Name | BDBM50458803 |
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| Synonyms: | CHEMBL4213970 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H41N9O3S |
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| Mol. Mass. | 691.845 |
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| SMILES | CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncn(C)n2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 |r,c:12| |
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| Structure | 
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