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Target
Mitogen-activated protein kinase 3
Ligand
BDBM50458806
Substrate
n/a
Meas. Tech.
ChEMBL_1764717 (CHEMBL4199964)
IC50
17±n/a nM
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 Lett 9:761-767 (2018) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 3
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
Type:
Protein
Mol. Mass.:
43136.58
Organism:
Homo sapiens (Human)
Description:
curated by PDB 4QTB
Residue:
379
Sequence:
MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAYDHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYIVQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDLKICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSDSKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERLKELIFQETARFQPGVLEAP
  
Inhibitor
Name:
BDBM50458806
Synonyms:
CHEMBL4205192
Type:
Small organic molecule
Emp. Form.:
C36H37FN8O3S
Mol. Mass.:
680.794
SMILES:
CCNc1nnc(o1)-c1ccc(cc1)C1=CCN(CC1)C(=O)CN1CC[C@@](C1)(SC)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,t:16|
Structure:
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