Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 8
Ligand
BDBM50089232
Substrate
n/a
Meas. Tech.
ChEMBL_1496172 (CHEMBL3578953)
IC50
40±n/a nM
Citation
 Zheng, K; Park, CM; Iqbal, S; Hernandez, P; Park, H; LoGrasso, PV; Feng, Y Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors. ACS Med Chem Lett 6:413-8 (2015) [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:
BDBM50089232
Synonyms:
CHEMBL3577869
Type:
Small organic molecule
Emp. Form.:
C22H32N6O2
Mol. Mass.:
412.5285
SMILES:
CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)|
Structure:
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