Reaction Details
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Mitogen-activated protein kinase 8
Ligand
BDBM50364372
Substrate
n/a
Meas. Tech.
ChEMBL_805030 (CHEMBL1952891)
IC50
540±n/a nM
Citation
Plantevin Krenitsky, V; Nadolny, L; Delgado, M; Ayala, L; Clareen, SS; Hilgraf, R; Albers, R; Hegde, S; D'Sidocky, N; Sapienza, J; Wright, J; McCarrick, M; Bahmanyar, S; Chamberlain, P; Delker, SL; Muir, J; Giegel, D; Xu, L; Celeridad, M; Lachowitzer, J; Bennett, B; Moghaddam, M; Khatsenko, O; Katz, J; Fan, R; Bai, A; Tang, Y; Shirley, MA; Benish, B; Bodine, T; Blease, K; Raymon, H; Cathers, BE; Satoh, Y Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg Med Chem Lett 22:1433-8 (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:
BDBM50364372
Synonyms:
CHEMBL1950299
Type:
Small organic molecule
Emp. Form.:
C24H30F2N6O2
Mol. Mass.:
472.5308
SMILES:
CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:3.2,wD:6.9,(15.15,-29.94,;15.92,-31.28,;17.46,-31.28,;18.23,-29.95,;17.47,-28.61,;18.23,-27.28,;19.77,-27.28,;20.55,-28.61,;19.78,-29.95,;20.54,-25.94,;22.08,-25.94,;22.84,-24.61,;24.38,-24.6,;25.15,-25.93,;26.65,-26.25,;26.81,-27.77,;28.15,-28.53,;29.48,-27.76,;30.81,-28.53,;32.14,-27.76,;32.14,-26.22,;33.47,-25.44,;30.79,-25.45,;29.47,-26.23,;28.13,-25.47,;25.42,-28.4,;24.69,-29.75,;23.15,-29.79,;22.42,-31.14,;23.23,-32.45,;24.77,-32.41,;25.51,-31.05,;24.39,-27.26,;22.84,-27.26,)|
Structure:
