Target
Mitogen-activated protein kinase 8
Ligand
BDBM102578
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
pH
7.5±0
IC50
2±n/a nM
Citation
 Gong, LHan, XMakra, FPalmer, WSRaptova, 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:
Human
Description:
JNK-1 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).
Residue:
427
Sequence:
MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
  
Inhibitor
Name:
BDBM102578
Synonyms:
US8536172, I-27
Type:
Small organic molecule
Emp. Form.:
C26H31N7O2
Mol. Mass.:
473.57
SMILES:
OC[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:5.8,wD:2.1,(-5.68,-4.22,;-7.01,-3.45,;-7.01,-1.91,;-5.68,-1.14,;-5.68,.4,;-7.01,1.17,;-8.34,.4,;-8.34,-1.14,;-7.01,2.71,;-5.68,3.48,;-5.68,5.02,;-4.34,5.79,;-3.01,5.02,;-3.01,3.48,;-4.34,2.71,;-1.68,2.71,;-.21,3.18,;.69,1.94,;-.21,.69,;.11,-.82,;-1.04,-1.85,;-2.5,-1.37,;-2.82,.13,;-1.68,1.17,;1.6,-1.22,;2,-2.7,;3.48,-3.1,;4.57,-2.01,;4.17,-.53,;2.69,-.13,;6.06,-2.41,;7.15,-1.32,;6.46,-3.9,;7.95,-4.3,;8.34,-5.79,)|
Structure:
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