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Target
Mitogen-activated protein kinase 8
Ligand
BDBM102560
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
pH
7.5±0
IC50
5.4±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:
BDBM102560
Synonyms:
US8536172, I-9
Type:
Small organic molecule
Emp. Form.:
C26H32N8O3S
Mol. Mass.:
536.649
SMILES:
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-9.56,-3.47,;-8.22,-4.24,;-8.22,-5.78,;-6.89,-5.01,;-6.89,-3.47,;-6.89,-1.93,;-5.55,-1.16,;-5.55,.38,;-6.89,1.15,;-8.22,.38,;-8.22,-1.16,;-6.89,2.69,;-5.55,3.46,;-5.55,5,;-4.22,5.78,;-2.89,5,;-2.89,3.46,;-4.22,2.69,;-1.55,2.69,;-.09,3.17,;.82,1.92,;-.09,.68,;.23,-.83,;-.91,-1.86,;-2.38,-1.38,;-2.7,.12,;-1.55,1.15,;1.72,-1.23,;2.12,-2.71,;3.61,-3.11,;4.69,-2.02,;4.3,-.54,;2.81,-.14,;6.18,-2.42,;7.27,-1.33,;6.58,-3.91,;8.07,-4.31,;9.56,-4.71,)|
Structure:
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