Reaction Details
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Mitogen-activated protein kinase 8
Ligand
BDBM50364384
Substrate
n/a
Meas. Tech.
ChEMBL_805030 (CHEMBL1952891)
IC50
390±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:
BDBM50364384
Synonyms:
CHEMBL1950295
Type:
Small organic molecule
Emp. Form.:
C22H26F2N6O2
Mol. Mass.:
444.4776
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.0,wD:4.7,(13.36,-4.29,;14.13,-2.95,;13.36,-1.62,;14.13,-.29,;15.66,-.29,;16.45,-1.62,;15.67,-2.95,;16.43,1.05,;17.97,1.06,;18.73,2.39,;20.28,2.39,;21.04,1.06,;22.54,.75,;22.71,-.77,;24.04,-1.54,;25.38,-.77,;26.71,-1.54,;28.04,-.77,;28.03,.78,;29.37,1.55,;26.69,1.54,;25.36,.76,;24.02,1.52,;21.31,-1.4,;20.55,-2.75,;19.02,-2.75,;18.26,-4.09,;19.04,-5.42,;20.59,-5.41,;21.35,-4.06,;20.28,-.27,;18.74,-.27,)|
Structure:
