Reaction Details | |||
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Target | Mitogen-activated protein kinase 3 | ||
Ligand | BDBM50364378 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_805189 (CHEMBL1955667) | ||
IC50 | 480±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 Lett22:1433-8 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Mitogen-activated protein kinase 3 | |||
Name: | Mitogen-activated protein kinase 3 | ||
Synonyms: | ERK1 | ERK1/ERK2 | Extracellular signal-regulated kinase 1 | Extracellular signal-regulated kinase 1 (ERK1) | MAP kinase ERK1 | MAPK3 | MAPK3/MAPK7 | MK03_HUMAN | Mitogen-activated protein kinase | Mitogen-activated protein kinase 3 | PRKM3 | ||
Type: | Protein | ||
Mol. Mass.: | 43136.58 | ||
Organism: | Homo sapiens (Human) | ||
Description: | curated by PDB 4QTB | ||
Residue: | 379 | ||
Sequence: |
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BDBM50364378 | |||
n/a | |||
Name | BDBM50364378 | ||
Synonyms: | CHEMBL1950289 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H23F3N6O2 | ||
Mol. Mass. | 448.4415 | ||
SMILES | O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| | ||
Structure |