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Target
Mitogen-activated protein kinase 8
Ligand
BDBM50578344
Substrate
n/a
Meas. Tech.
ChEMBL_2132756 (CHEMBL4842271)
IC50
1770±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:
BDBM50578344
Synonyms:
CHEMBL4874419
Type:
Small organic molecule
Emp. Form.:
C14H23N5O2
Mol. Mass.:
293.3647
SMILES:
CC(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:8.7,wD:11.11,(72.97,-12.27,;71.63,-11.52,;70.3,-12.3,;71.63,-9.98,;70.29,-9.21,;68.95,-9.99,;67.61,-9.22,;66.28,-9.99,;64.95,-9.22,;63.62,-9.99,;62.29,-9.21,;62.29,-7.67,;60.96,-6.89,;63.63,-6.91,;64.96,-7.68,;67.62,-7.68,;68.94,-6.91,;70.28,-7.67,;71.61,-6.89,;72.95,-7.66,;71.6,-5.35,)|
Structure:
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