Reaction Details
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Mitogen-activated protein kinase 8
Ligand
BDBM50364371
Substrate
n/a
Meas. Tech.
ChEMBL_805030 (CHEMBL1952891)
IC50
320±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:
BDBM50364371
Synonyms:
CHEMBL1950298
Type:
Small organic molecule
Emp. Form.:
C25H32F2N6O2
Mol. Mass.:
486.5574
SMILES:
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:4.3,wD:7.10,(-5.78,-30.64,;-4.24,-30.65,;-5.02,-31.97,;-3.47,-31.98,;-3.47,-29.31,;-4.23,-27.97,;-3.47,-26.64,;-1.93,-26.64,;-1.15,-27.97,;-1.92,-29.31,;-1.16,-25.31,;.38,-25.3,;1.14,-23.97,;2.68,-23.97,;3.45,-25.3,;4.95,-25.61,;5.11,-27.13,;6.45,-27.9,;7.78,-27.12,;9.11,-27.9,;10.44,-27.12,;10.44,-25.58,;11.77,-24.8,;9.09,-24.82,;7.77,-25.59,;6.43,-24.83,;3.72,-27.76,;2.99,-29.12,;1.45,-29.15,;.72,-30.5,;1.53,-31.82,;3.07,-31.78,;3.81,-30.42,;2.69,-26.63,;1.14,-26.62,)|
Structure:
