Target
Mitogen-activated protein kinase 8
Ligand
BDBM50392987
Substrate
n/a
Meas. Tech.
ChEMBL_853502 (CHEMBL2153879)
EC50
14000±n/a nM
Citation
 Haynes, NEScott, NRChen, LCJanson, CALi, JKLukacs, CMRailkar, ATozzo, EWhittard, TBrown, NFCheung, AW Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor. ACS Med Chem Lett 3:764-768 (2012) [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:
BDBM50392987
Synonyms:
CHEMBL2152387
Type:
Small organic molecule
Emp. Form.:
C30H29N3O5
Mol. Mass.:
511.5684
SMILES:
COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2cccnc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(13.6,-20.56,;12.27,-19.79,;12.27,-18.25,;13.61,-17.48,;10.94,-17.47,;10.94,-15.92,;12.28,-15.15,;12.27,-13.61,;13.61,-12.85,;13.61,-11.31,;12.28,-10.54,;10.94,-11.31,;10.95,-12.85,;12.28,-9,;13.61,-8.23,;10.94,-8.23,;10.94,-6.69,;9.61,-5.93,;9.61,-4.38,;10.95,-3.61,;10.95,-2.07,;12.28,-4.39,;12.28,-5.92,;9.59,-15.13,;9.59,-13.59,;8.25,-15.91,;6.92,-15.15,;5.59,-15.92,;5.59,-17.47,;6.92,-18.24,;8.25,-17.47,;9.59,-18.24,;9.59,-19.78,;8.25,-20.54,;8.24,-22.08,;9.58,-22.86,;10.92,-22.08,;10.91,-20.55,)|
Structure:
Search PDB for entries with ligand similarity: