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Target
Mitogen-activated protein kinase 8
Ligand
BDBM50277948
Substrate
n/a
Meas. Tech.
ChEMBL_501722 (CHEMBL985050)
Ki
28±n/a nM
Citation
 Humphries, PS; Lafontaine, JA; Agree, CS; Alexander, D; Chen, P; Do, QQ; Li, LY; Lunney, EA; Rajapakse, RJ; Siegel, K; Timofeevski, SL; Wang, T; Wilhite, DM Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors. Bioorg Med Chem Lett 19:2099-102 (2009) [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:
BDBM50277948
Synonyms:
CHEMBL482753 | N-(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyrazol-3-yl)cyclohexyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C20H28N6O
Mol. Mass.:
368.4759
SMILES:
CC(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:7.10,wD:4.3,(-8.79,-14.61,;-7.44,-13.86,;-7.42,-12.32,;-6.12,-14.65,;-4.78,-13.9,;-3.45,-14.69,;-2.1,-13.94,;-2.09,-12.4,;-3.41,-11.62,;-4.75,-12.36,;-.63,-11.92,;-.15,-10.45,;1.39,-10.45,;1.87,-11.91,;.63,-12.82,;.63,-14.36,;-.69,-15.13,;-.7,-16.67,;.64,-17.44,;1.97,-16.67,;3.31,-17.44,;3.31,-18.98,;2.07,-19.88,;2.55,-21.34,;4.09,-21.34,;4.56,-19.87,;1.97,-15.12,)|
Structure:
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