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Target
Mitogen-activated protein kinase 10/8/9
Ligand
BDBM86636
Substrate
n/a
Meas. Tech.
ChEMBL_2232250 (CHEMBL5146022)
EC50
48±n/a nM
Citation
 Zhu, Y; Shuai, W; Zhao, M; Pan, X; Pei, J; Wu, Y; Bu, F; Wang, A; Ouyang, L; Wang, G Unraveling the Design and Discovery of c-Jun N-Terminal Kinase Inhibitors and Their Therapeutic Potential in Human Diseases. J Med Chem 65:3758-3775 (2022) [PubMed] 
Target
Name:
Mitogen-activated protein kinase 10/8/9
Synonyms:
c-Jun N-terminal kinase, JNK
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 216672
Components:
This complex has 3 components.
Component 1
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
  
Component 2
Name:
Mitogen-activated protein kinase 10
Synonyms:
JNK3 | JNK3A | MAP kinase p49 3F12 | MAPK10 | MK10_HUMAN | Mitogen-Activated Protein Kinase 10 (JNK3) | Mitogen-activated protein kinase 10 (Stress-activated protein kinase JNK3) (c-Jun N-terminal kinase 3) (MAP kinase p49 3F12) | Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1 | PRKM10 | SAPK1B | Stress-activated protein kinase JNK3 | c-Jun N-terminal kinase 3 (JNK3)
Type:
Enzyme
Mol. Mass.:
52586.89
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
464
Sequence:
MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAAVNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR
  
Component 3
Name:
Mitogen-activated protein kinase 9
Synonyms:
JNK-55 | JNK2 | JNK2/JNK3 | MAPK9 | MK09_HUMAN | Mitogen-Activated Protein Kinase 9 (JNK2) | Mitogen-activated protein kinase 8/9 | PRKM9 | SAPK1A | Stress-activated protein kinase JNK2 | c-Jun N-terminal kinase 2 | c-Jun N-terminal kinase 2 (JNK2)
Type:
Enzyme
Mol. Mass.:
48131.49
Organism:
Homo sapiens (Human)
Description:
JNK-2 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).
Residue:
424
Sequence:
MSDSKCDSQFYSVQVADSTFTVLKRYQQLKPIGSGAQGIVCAAFDTVLGINVAVKKLSRPFQNQTHAKRAYRELVLLKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIHMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTACTNFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGELVKGCVIFQGTDHIDQWNKVIEQLGTPSAEFMKKLQPTVRNYVENRPKYPGIKFEELFPDWIFPSESERDKIKTSQARDLLSKMLVIDPDKRISVDEALRHPYITVWYDPAEAEAPPPQIYDAQLEEREHAIEEWKELIYKEVMDWEERSKNGVVKDQPSDAAVSSNATPSQSSSINDISSMSTEQTLASDTDSSLDASTGPLEGCR
  
Inhibitor
Name:
BDBM86636
Synonyms:
JNK-IN-11
Type:
Small organic molecule
Emp. Form.:
C36H32N8O2
Mol. Mass.:
608.6917
SMILES:
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: