Reaction Details 
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Mitogen-activated protein kinase 9
Ligand
BDBM50364376
Substrate
n/a
Meas. Tech.
ChEMBL_805031 (CHEMBL1952892)
IC50
38±n/a nM
Citation
Plantevin Krenitsky, V; Nadolny, L; Delgado, M; Ayala, L; Clareen, SS; Hilgraf, R; Albers, R; Hegde, S; D'Sidocky, N; Sapienza, J; Wright, J; McCarrick, M; Bahmanyar, S; Chamberlain, P; Delker, SL; Muir, J; Giegel, D; Xu, L; Celeridad, M; Lachowitzer, J; Bennett, B; Moghaddam, M; Khatsenko, O; Katz, J; Fan, R; Bai, A; Tang, Y; Shirley, MA; Benish, B; Bodine, T; Blease, K; Raymon, H; Cathers, BE; Satoh, Y Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg Med Chem Lett 22:1433-8 (2012) [PubMed] ArticleMore Info.:
Target
Name:
Mitogen-activated protein kinase 9
Synonyms:
JNK-55 | JNK2 | JNK2/JNK3 | MAPK9 | MK09_HUMAN | Mitogen-Activated Protein Kinase 9 (JNK2) | Mitogen-activated protein kinase 8/9 | PRKM9 | SAPK1A | Stress-activated protein kinase JNK2 | c-Jun N-terminal kinase 2 | c-Jun N-terminal kinase 2 (JNK2)
Type:
Enzyme
Mol. Mass.:
48131.49
Organism:
Homo sapiens (Human)
Description:
JNK-2 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).
Residue:
424
Sequence:
MSDSKCDSQFYSVQVADSTFTVLKRYQQLKPIGSGAQGIVCAAFDTVLGINVAVKKLSRPFQNQTHAKRAYRELVLLKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIHMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTACTNFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGELVKGCVIFQGTDHIDQWNKVIEQLGTPSAEFMKKLQPTVRNYVENRPKYPGIKFEELFPDWIFPSESERDKIKTSQARDLLSKMLVIDPDKRISVDEALRHPYITVWYDPAEAEAPPPQIYDAQLEEREHAIEEWKELIYKEVMDWEERSKNGVVKDQPSDAAVSSNATPSQSSSINDISSMSTEQTLASDTDSSLDASTGPLEGCR
Inhibitor
Name:
BDBM50364376
Synonyms:
CHEMBL1950303
Type:
Small organic molecule
Emp. Form.:
C21H23F3N6O2
Mol. Mass.:
448.4415
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)|
Structure:
