Target
Mitogen-activated protein kinase 8
Ligand
BDBM50363450
Substrate
n/a
Meas. Tech.
ChEMBL_800184 (CHEMBL1947746)
IC50
1100±n/a nM
Citation
 Krenitsky, VPDelgado, MNadolny, LSahasrabudhe, KAyala, LClareen, SSHilgraf, RAlbers, RKois, AHughes, KWright, JNowakowski, JSudbeck, EGhosh, SBahmanyar, SChamberlain, PMuir, JCathers, BEGiegel, DXu, LCeleridad, MMoghaddam, MKhatsenko, OOmholt, PKatz, JPai, SFan, RTang, YShirley, MABenish, BBlease, KRaymon, HBhagwat, SHenderson, ICole, AGBennett, BSatoh, Y Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg Med Chem Lett 22:1427-32 (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:
BDBM50363450
Synonyms:
CHEMBL1946328
Type:
Small organic molecule
Emp. Form.:
C23H22F2N6O
Mol. Mass.:
436.4572
SMILES:
COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1
Structure:
Search PDB for entries with ligand similarity: