Reaction Details
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Mitogen-activated protein kinase 3
Ligand
BDBM50364378
Substrate
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 Lett 22:1433-8 (2012) [PubMed] Article More Info.:
Target
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:
MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAYDHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYIVQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDLKICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSDSKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERLKELIFQETARFQPGVLEAP
Inhibitor
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:
