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Target
Mitogen-activated protein kinase 8
Ligand
BDBM50578362
Substrate
n/a
Meas. Tech.
ChEMBL_2132758 (CHEMBL4842273)
IC50
19±n/a nM
Citation
 Nagy, MA; Hilgraf, R; Mortensen, DS; Elsner, J; Norris, S; Tikhe, J; Yoon, W; Paisner, D; Delgado, M; Erdman, P; Haelewyn, J; Khambatta, G; Xu, L; Romanow, WJ; Condroski, K; Bahmanyar, S; McCarrick, M; Benish, B; Blease, K; LeBrun, L; Moghaddam, MF; Apuy, J; Canan, SS; Bennett, BL; Satoh, Y Discovery of the c-Jun N-Terminal Kinase Inhibitor  J Med Chem 64:18193-18208 (2021) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 8
Synonyms:
JNK-46 | JNK1 | JNK1-alpha-1 | MAPK8 | MK08_HUMAN | Mitogen-Activated Protein Kinase 8 (JNK1) | PRKM8 | SAPK1 | SAPK1C | Stress-activated protein kinase JNK1 | c-Jun N-terminal kinase 1 | c-Jun N-terminal kinase 1 (JNK1) | c-Jun N-terminal kinase 1(JNK1) | c-Jun N-terminal kinase 2 (JNK2)
Type:
Enzyme
Mol. Mass.:
48297.57
Organism:
Homo sapiens (Human)
Description:
JNK-1 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).
Residue:
427
Sequence:
MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
  
Inhibitor
Name:
BDBM50578362
Synonyms:
CHEMBL4866929
Type:
Small organic molecule
Emp. Form.:
C18H27F2N5O2
Mol. Mass.:
383.4361
SMILES:
CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC(F)(F)C2)n1 |r,wU:5.8,18.18,wD:2.1,(20.63,-18.13,;21.97,-17.36,;23.3,-18.14,;23.3,-19.68,;24.63,-20.46,;25.96,-19.69,;25.97,-18.15,;24.64,-17.38,;27.29,-20.46,;28.62,-19.69,;28.63,-18.15,;29.96,-17.37,;31.29,-18.14,;32.62,-17.36,;33.96,-18.12,;32.61,-15.82,;31.3,-19.68,;32.64,-20.45,;32.64,-21.99,;31.31,-22.75,;31.32,-24.29,;32.65,-25.06,;33.98,-24.28,;35.52,-24.28,;34.75,-25.62,;33.98,-22.74,;29.96,-20.46,)|
Structure:
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