Reaction Details  Report a problem with these data
Target
Mitogen-activated protein kinase 8
Ligand
BDBM50128294
Substrate
n/a
Meas. Tech.
ChEMBL_1523709 (CHEMBL3631848)
IC50
1040±n/a nM
Citation
 Patel, S; Harris, SF; Gibbons, P; Deshmukh, G; Gustafson, A; Kellar, T; Lin, H; Liu, X; Liu, Y; Liu, Y; Ma, C; Scearce-Levie, K; Ghosh, AS; Shin, YG; Solanoy, H; Wang, J; Wang, B; Yin, J; Siu, M; Lewcock, JW Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J Med Chem 58:8182-99 (2015) [PubMed]  Article
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:
Homo sapiens (Human)
Description:
JNK-1 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).
Residue:
427
Sequence:
MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
  
Inhibitor
Name:
BDBM50128294
Synonyms:
CHEMBL3629013
Type:
Small organic molecule
Emp. Form.:
C22H28N6O
Mol. Mass.:
392.4973
SMILES:
N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Structure:
Search PDB for entries with ligand similarity: