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Target
Mitogen-activated protein kinase 8
Ligand
BDBM102616
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
pH
7.5±0
IC50
26.8±n/a nM
Citation
 Gong, L; Han, X; Makra, F; Palmer, WS; Raptova, L Inhibitors of JNK US Patent  US8536172 Publication Date 9/17/2013 
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:
BDBM102616
Synonyms:
US8536172, I-65
Type:
Small organic molecule
Emp. Form.:
C26H34N6O4S
Mol. Mass.:
526.651
SMILES:
CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ncc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-11.67,-5.51,;-11.27,-4.02,;-9.78,-3.62,;-9.38,-2.14,;-10.47,-1.05,;-7.9,-1.74,;-6.81,-2.83,;-5.32,-2.43,;-4.92,-.94,;-6.01,.15,;-7.5,-.25,;-3.43,-.54,;-2.66,.79,;-3.43,2.13,;-2.66,3.46,;-1.12,3.46,;-.35,2.13,;-1.12,.79,;1.19,2.13,;1.81,3.53,;3.35,3.37,;3.67,1.87,;5,1.1,;5,-.44,;3.67,-1.21,;2.33,-.44,;2.33,1.1,;6.33,1.87,;7.67,1.1,;9,1.87,;9,3.41,;7.67,4.18,;6.33,3.41,;10.33,4.18,;11.67,4.95,;9.56,5.51,;11.1,2.84,)|
Structure:
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