Reaction Details 
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Mitogen-activated protein kinase 8
Ligand
BDBM50363467
Substrate
n/a
Meas. Tech.
ChEMBL_800184 (CHEMBL1947746)
IC50
270±n/a nM
Citation
Krenitsky, VP; Delgado, M; Nadolny, L; Sahasrabudhe, K; Ayala, L; Clareen, SS; Hilgraf, R; Albers, R; Kois, A; Hughes, K; Wright, J; Nowakowski, J; Sudbeck, E; Ghosh, S; Bahmanyar, S; Chamberlain, P; Muir, J; Cathers, BE; Giegel, D; Xu, L; Celeridad, M; Moghaddam, M; Khatsenko, O; Omholt, P; Katz, J; Pai, S; Fan, R; Tang, Y; Shirley, MA; Benish, B; Blease, K; Raymon, H; Bhagwat, S; Henderson, I; Cole, AG; Bennett, B; Satoh, Y Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg Med Chem Lett 22:1427-32 (2012) [PubMed] ArticleMore Info.:
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:
BDBM50363467
Synonyms:
CHEMBL1946837
Type:
Small organic molecule
Emp. Form.:
C22H27F2N7
Mol. Mass.:
427.4935
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)|
Structure:
