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Target
Mitogen-activated protein kinase 8
Ligand
BDBM50578350
Substrate
n/a
Meas. Tech.
ChEMBL_2132756 (CHEMBL4842271)
IC50
350±n/a nM
Citation
 Nagy, MA; Hilgraf, R; Mortensen, DS; Elsner, J; Norris, S; Tikhe, J; Yoon, W; Paisner, D; Delgado, M; Erdman, P; Haelewyn, J; Khambatta, G; Xu, L; Romanow, WJ; Condroski, K; Bahmanyar, S; McCarrick, M; Benish, B; Blease, K; LeBrun, L; Moghaddam, MF; Apuy, J; Canan, SS; Bennett, BL; Satoh, Y Discovery of the c-Jun N-Terminal Kinase Inhibitor  J Med Chem 64:18193-18208 (2021) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 8
Synonyms:
Jnk1 | MAP kinase 8 | MAPK 8 | MK08_MOUSE | Mapk8 | Prkm8 | Stress-activated protein kinase JNK1 | c-Jun N-terminal kinase 1
Type:
PROTEIN
Mol. Mass.:
44234.80
Organism:
Mus musculus
Description:
ChEMBL_120521
Residue:
384
Sequence:
MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLAQVQQ
  
Inhibitor
Name:
BDBM50578350
Synonyms:
CHEMBL4874549
Type:
Small organic molecule
Emp. Form.:
C15H25N5O2
Mol. Mass.:
307.3913
SMILES:
CC(C)(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:9.8,wD:12.12,(14.02,-12,;15.35,-11.23,;16.69,-11.99,;15.34,-12.76,;15.34,-9.69,;14,-8.93,;12.66,-9.7,;11.33,-8.93,;9.99,-9.7,;8.66,-8.93,;7.33,-9.7,;6,-8.93,;6,-7.38,;4.67,-6.61,;7.34,-6.62,;8.67,-7.39,;11.33,-7.39,;12.66,-6.62,;13.99,-7.38,;15.32,-6.61,;16.66,-7.37,;15.32,-5.07,)|
Structure:
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