Reaction Details
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Mitogen-activated protein kinase 8
Ligand
BDBM50364373
Substrate
n/a
Meas. Tech.
ChEMBL_805030 (CHEMBL1952891)
IC50
880±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:
BDBM50364373
Synonyms:
CHEMBL1950300
Type:
Small organic molecule
Emp. Form.:
C23H29F2N7O3S
Mol. Mass.:
521.583
SMILES:
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:5.4,wD:8.11,(-9.55,-42.42,;-8.78,-43.75,;-8.38,-45.23,;-9.88,-44.84,;-7.24,-43.75,;-6.46,-42.42,;-7.23,-41.08,;-6.47,-39.75,;-4.93,-39.75,;-4.15,-41.08,;-4.92,-42.42,;-4.16,-38.42,;-2.62,-38.41,;-1.86,-37.08,;-.32,-37.08,;.45,-38.41,;1.95,-38.72,;2.11,-40.24,;3.45,-41.01,;4.78,-40.23,;6.12,-41.01,;7.45,-40.23,;7.44,-38.69,;8.77,-37.91,;6.1,-37.92,;4.77,-38.7,;3.43,-37.94,;.72,-40.87,;-.01,-42.23,;-1.55,-42.26,;-2.28,-43.61,;-1.47,-44.93,;.07,-44.88,;.81,-43.53,;-.31,-39.73,;-1.85,-39.73,)|
Structure:
