Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 11
Ligand
BDBM50421138
Substrate
n/a
Meas. Tech.
ChEMBL_839530 (CHEMBL2090337)
IC50
110±n/a nM
Citation
 Tynebor, RM; Chen, MH; Natarajan, SR; O'Neill, EA; Thompson, JE; Fitzgerald, CE; O'Keefe, SJ; Doherty, JB Synthesis and biological activity of pyridopyridazin-6-one p38a MAP kinase inhibitors. Part 2. Bioorg Med Chem Lett 22:5979-83 (2012) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 11
Synonyms:
MAP Kinase p38 beta | MK11_MOUSE | Mapk11 | Mitogen-activated protein kinase 11 | Mitogen-activated protein kinase p38 beta | Prkm11 | p38B
Type:
Enzyme
Mol. Mass.:
41390.66
Organism:
Mus musculus (mouse)
Description:
Q9WUI1
Residue:
364
Sequence:
MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQSLIHARRTYRELRLLKHLKHENVIGLLDVFTPATSIEDFSEVYLVTTLMGADLNNIVKCQALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQADEEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLQGKALFPGNDYIDQLKRIMEVVGTPSPEVLAKISSEHARTYIQSLPPMPQKDLSSVFHGANPLAIDLLGRMLVLDSDQRVSAAEALAHAYFSQYHDPDDEPEAEPYDESVEAKERTLEEWKELTYQEVLSFKPLEPSQLPGTHEIEQ
  
Inhibitor
Name:
BDBM50421138
Synonyms:
CHEMBL2088589
Type:
Small organic molecule
Emp. Form.:
C25H21F2N3O4
Mol. Mass.:
465.4487
SMILES:
CCCNC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(20.21,-42.85,;18.88,-43.63,;17.54,-42.86,;16.21,-43.64,;14.87,-42.87,;14.87,-41.33,;13.54,-43.65,;12.21,-42.89,;10.88,-43.66,;10.88,-45.2,;9.54,-45.97,;8.21,-45.2,;12.21,-45.97,;13.55,-45.2,;12.21,-47.51,;13.54,-48.27,;14.86,-47.51,;16.19,-48.26,;16.2,-49.8,;17.53,-50.56,;17.54,-52.1,;16.2,-52.88,;16.21,-54.41,;17.55,-55.18,;17.55,-56.72,;18.88,-54.4,;18.87,-52.86,;20.2,-52.08,;14.87,-50.57,;13.54,-49.81,;12.21,-50.59,;10.88,-49.81,;10.88,-48.28,;9.54,-47.5,)|
Structure:
Search PDB for entries with ligand similarity: