Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 8
Ligand
BDBM50363465
Substrate
n/a
Meas. Tech.
ChEMBL_800184 (CHEMBL1947746)
IC50
91±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] Article
More 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:
BDBM50363465
Synonyms:
CHEMBL1946646
Type:
Small organic molecule
Emp. Form.:
C22H27F2N7
Mol. Mass.:
427.4935
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-8.05,-2.1,;-7.28,-.77,;-5.74,-.77,;-4.96,.56,;-5.74,1.89,;-7.27,1.89,;-8.04,.57,;-4.97,3.22,;-3.43,3.22,;-2.66,4.56,;-1.12,4.55,;-.36,3.22,;1.14,2.91,;1.29,1.38,;2.63,.61,;3.96,1.38,;3.96,2.92,;2.63,3.69,;5.29,3.7,;6.63,2.93,;6.63,1.38,;5.3,.61,;5.3,-.93,;-.11,.75,;-.11,-.78,;-1.36,-1.68,;-.89,-3.15,;.65,-3.15,;1.13,-1.69,;-1.14,1.9,;-2.66,1.9,)|