Reaction Details 
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Mitogen-activated protein kinase 14
Ligand
BDBM50364382
Substrate
n/a
Meas. Tech.
ChEMBL_805033 (CHEMBL1952894)
IC50
6400±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] ArticleMore Info.:
Target
Name:
Mitogen-activated protein kinase 14
Synonyms:
CSAID-binding protein | CSBP | CSBP1 | CSBP2 | CSPB1 | Cytokine suppressive anti-inflammatory drug-binding protein | MAP kinase 14 | MAP kinase MXI2 | MAP kinase p38 alpha | MAPK 14 | MAPK14 | MAX-interacting protein 2 | MK14_HUMAN | MXI2 | Mitogen-activated protein kinase p38 alpha | SAPK2A | Stress-activated protein kinase 2a | p38 MAP kinase alpha/beta
Type:
Serine/threonine-protein kinase
Mol. Mass.:
41286.76
Organism:
Homo sapiens (Human)
Description:
Q16539
Residue:
360
Sequence:
MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
Inhibitor
Name:
BDBM50364382
Synonyms:
CHEMBL1950293
Type:
Small organic molecule
Emp. Form.:
C25H30F3N7O2
Mol. Mass.:
517.5466
SMILES:
CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)|
Structure:
