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Target
Mitogen-activated protein kinase 1
Ligand
BDBM417704
Substrate
n/a
Meas. Tech.
ERK2 In vitro Inhibition Assay
IC50
1.90±n/a nM
Citation
 Berdini, V; Buck, IM; Day, JE; Griffiths-Jones, CM; Heightman, TD; Howard, S; Murray, CW; Norton, D; O''Reilly, M; Woolford, AJ; Cooke, ML; Cousin, D; Onions, ST; Shannon, JM; Watts, JP Benzolactam compounds as protein kinase inhibitors US Patent  US11001575 Publication Date 5/11/2021 
Target
Name:
Mitogen-activated protein kinase 1
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
Type:
Ser/Thr Protein Kinase
Mol. Mass.:
41392.76
Organism:
Human
Description:
P28482
Residue:
360
Sequence:
MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
  
Inhibitor
Name:
BDBM417704
Synonyms:
2-[6-(5-chloro-2- {[trans-4- methoxycyclohexyl] amino}pyrimidin-4-yl)- 1-oxo-2,3-dihydro-1H- isoindol-2-yl]-N-[(1S)- 2-hydroxy-1-(3- methoxyphenyl)ethyl] acetamide | US10457669, Example 324 | US11001575, Example 324
Type:
Small organic molecule
Emp. Form.:
C30H34ClN5O5
Mol. Mass.:
580.074
SMILES:
CO[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(n1)-c1ccc2CN(CC(=O)N[C@H](CO)c3cccc(OC)c3)C(=O)c2c1 |r,wU:5.8,wD:26.27,2.1,(6.65,-5.71,;5.32,-4.94,;3.98,-5.71,;2.65,-4.94,;1.32,-5.71,;1.32,-7.25,;2.65,-8.02,;3.98,-7.25,;-.02,-8.02,;-1.35,-7.25,;-2.69,-8.02,;-4.02,-7.25,;-4.02,-5.71,;-5.35,-4.94,;-2.69,-4.94,;-1.35,-5.71,;-2.69,-3.4,;-1.35,-2.63,;-1.35,-1.09,;-2.69,-.32,;-3.01,1.19,;-4.54,1.35,;-5.31,2.68,;-4.54,4.02,;-5.31,5.35,;-3,4.02,;-2.23,5.35,;-3,6.68,;-2.23,8.02,;-.69,5.35,;.08,6.68,;1.62,6.68,;2.39,5.35,;1.62,4.02,;2.39,2.68,;1.62,1.35,;.08,4.02,;-5.16,-.06,;-6.65,-.46,;-4.02,-1.09,;-4.02,-2.63,)|
Structure:
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