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Target
Mitogen-activated protein kinase 1 [8-360]
Ligand
BDBM192389
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.3±n/a
IC50
1.2±n/a nM
Comments
extracted
Citation
 Blake, JF; Chen, H; Chicarelli, MJ; Demeese, J; Garrey, RF; Gaudino, J; Gazzard, L; Kaus, RJ; Kintz, S; Mohr, PJ; Moreno, DA; Schwarz, J; Siedem, CS; Wallace, EM Substituted quinazolines as serine/threonine kinase inhibitors US Patent  US9187462 Publication Date 11/17/2015 
Target
Name:
Mitogen-activated protein kinase 1 [8-360]
Synonyms:
ERK2 | Human ERK-2 | MAPK1 | MK01_HUMAN | Mitogen Activated Kinase 1 | Mitogen-activated protein kinase 1 (ERK-2) | Mitogen-activated protein kinase 1 (aa 8-360) | PRKM1 | PRKM2
Type:
n/a
Mol. Mass.:
40835.09
Organism:
Homo sapiens (Human)
Description:
P28482 aa 8-360
Residue:
353
Sequence:
GAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
  
Inhibitor
Name:
BDBM192389
Synonyms:
US9187462, I-69
Type:
Small organic molecule
Emp. Form.:
C27H28F2N6O3
Mol. Mass.:
522.5464
SMILES:
COc1ccc(cc1F)[C@H](NC(=O)c1cc(F)c2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1)c1cnn(C)c1 |r,wU:22.22,wD:9.10,25.26,(11.38,-2.65,;10.05,-3.42,;8.72,-2.65,;7.34,-3.39,;6,-2.62,;6,-1.08,;7.34,-.31,;8.67,-1.08,;10,-.31,;4.67,-.31,;3.33,-1.08,;2,-.31,;2,1.23,;.67,-1.08,;.67,-2.62,;-.67,-3.39,;-.67,-4.93,;-2,-2.62,;-3.33,-3.39,;-4.67,-2.62,;-4.67,-1.08,;-6,-.31,;-7.34,-1.08,;-7.34,-2.62,;-8.67,-3.39,;-10,-2.62,;-11.34,-3.39,;-10,-1.08,;-8.67,-.31,;-3.33,-.31,;-2,-1.08,;-.67,-.31,;4.67,1.23,;3.42,2.13,;3.9,3.6,;5.46,3.63,;6.37,4.88,;5.91,2.13,)|
Structure:
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