| Reaction Details |
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 | Report a problem with these data |
| Target | Mitogen-activated protein kinase 1/3 |
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| Ligand | BDBM120095 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1824523 (CHEMBL4324287) |
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| IC50 | 86±n/a nM |
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| Citation |  Ward, RA; Anderton, MJ; Bethel, P; Breed, J; Cook, C; Davies, EJ; Dobson, A; Dong, Z; Fairley, G; Farrington, P; Feron, L; Flemington, V; Gibbons, FD; Graham, MA; Greenwood, R; Hanson, L; Hopcroft, P; Howells, R; Hudson, J; James, M; Jones, CD; Jones, CR; Li, Y; Lamont, S; Lewis, R; Lindsay, N; McCabe, J; McGuire, T; Rawlins, P; Roberts, K; Sandin, L; Simpson, I; Swallow, S; Tang, J; Tomkinson, G; Tonge, M; Wang, Z; Zhai, B Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J Med Chem62:11004-11018 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Mitogen-activated protein kinase 1/3 |
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| Name: | Mitogen-activated protein kinase 1/3 |
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| Synonyms: | Mitogen-activated protein kinase; ERK1/ERK2 | pERK1/2 | t-ERK1/2 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 124147 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Mitogen-activated protein kinase 1 |
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| Synonyms: | ERK2 | ERT1 | Extracellular signal-regulated kinase 2 | Extracellular signal-regulated kinase 2 (ERK-2) | Extracellular signal-regulated kinase 2 (ERK2) | MAP Kinase 2/ERK2 | MAPK 2 | MAPK1 | MK01_HUMAN | Mitogen activated kinase 1 (ERK-2) | Mitogen-activated protein kinase 1 (ERK-2) | Mitogen-activated protein kinase 1 (ERK2) | Mitogen-activated protein kinase 2 | PRKM1 | PRKM2 | p42-MAPK |
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| Type: | Ser/Thr Protein Kinase |
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| Mol. Mass.: | 41392.76 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P28482 |
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| Residue: | 360 |
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| Sequence: | MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFE
HQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQH
LSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDH
TGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHI
LGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHK
RIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
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| Component 2 |
| 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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| BDBM120095 |
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| n/a |
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| Name | BDBM120095 |
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| Synonyms: | US10525036, Example GDC-0994 | US10934304, Example GDC-0994 | US8697715, 39 | US9259470, 39 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H18ClFN6O2 |
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| Mol. Mass. | 440.858 |
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| SMILES | Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| |
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| Structure | 
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