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Target
Mitogen-activated protein kinase 8
Ligand
BDBM102573
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
pH
7.5±0
IC50
3.6±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:
Human
Description:
JNK-1 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).
Residue:
427
Sequence:
MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
  
Inhibitor
Name:
BDBM102573
Synonyms:
US8536172, I-22
Type:
Small organic molecule
Emp. Form.:
C30H42N8O5S
Mol. Mass.:
626.77
SMILES:
CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:32.34,wD:35.41,(10.7,-6.58,;9.21,-6.18,;8.12,-7.27,;9.61,-4.7,;8.81,-4.7,;7.32,-4.3,;6.24,-5.39,;6.93,-2.81,;5.44,-2.41,;5.04,-.92,;6.13,.17,;3.55,-.53,;2.46,-1.61,;.98,-1.22,;.58,.27,;1.67,1.36,;3.15,.96,;-.91,.67,;-2.06,-.36,;-3.52,.12,;-3.84,1.62,;-2.7,2.65,;-2.7,4.19,;-1.23,4.67,;-.33,3.42,;-1.23,2.18,;-4.03,4.96,;-4.03,6.5,;-5.36,7.27,;-6.7,6.5,;-6.7,4.96,;-8.03,4.19,;-8.03,2.65,;-6.7,1.88,;-6.7,.34,;-8.03,-.43,;-9.36,.34,;-9.36,1.88,;-8.03,-1.97,;-9.36,-2.74,;-10.7,-1.97,;-9.36,-4.28,;-8.03,-3.51,;-5.36,4.19,)|
Structure:
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