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Target
Mitogen-activated protein kinase 1
Ligand
BDBM50094467
Substrate
n/a
Meas. Tech.
ChEMBL_1503902 (CHEMBL3593135)
IC50
90±n/a nM
Citation
 Ward, RA; Colclough, N; Challinor, M; Debreczeni, JE; Eckersley, K; Fairley, G; Feron, L; Flemington, V; Graham, MA; Greenwood, R; Hopcroft, P; Howard, TD; James, M; Jones, CD; Jones, CR; Renshaw, J; Roberts, K; Snow, L; Tonge, M; Yeung, K Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of ERK1/2. J Med Chem 58:4790-801 (2015) [PubMed]  Article 
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:
Homo sapiens (Human)
Description:
P28482
Residue:
360
Sequence:
MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
  
Inhibitor
Name:
BDBM50094467
Synonyms:
CHEMBL3590124
Type:
Small organic molecule
Emp. Form.:
C21H27ClN6O
Mol. Mass.:
414.932
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1 |r,wU:3.2,wD:6.9,(-7.99,-2.79,;-8,-1.56,;-9.07,-.95,;-6.67,-.78,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-2.68,-6.15,;-1.34,-5.39,;-.01,-6.17,;-.02,-7.71,;-1.09,-8.32,;1.31,-8.49,;1.3,-9.72,;-1.33,-.77,)|
Structure:
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