Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 14
Ligand
BDBM50382374
Substrate
n/a
Meas. Tech.
ChEMBL_817609 (CHEMBL2027257)
IC50
2800±n/a nM
Citation
 Duffy, JP; Harrington, EM; Salituro, FG; Cochran, JE; Green, J; Gao, H; Bemis, GW; Evindar, G; Galullo, VP; Ford, PJ; Germann, UA; Wilson, KP; Bellon, SF; Chen, G; Taslimi, P; Jones, P; Huang, C; Pazhanisamy, S; Wang, YM; Murcko, MA; Su, MS The Discovery of VX-745: A Novel and Selective p38a Kinase Inhibitor. ACS Med Chem Lett 2:758-763 (2011) [PubMed]  Article 
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:
BDBM50382374
Synonyms:
CHEMBL2024530
Type:
Small organic molecule
Emp. Form.:
C21H15Cl2N3OS
Mol. Mass.:
428.334
SMILES:
CCc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(37.91,-20.54,;36.56,-19.78,;36.54,-18.24,;37.87,-17.46,;37.85,-15.92,;36.5,-15.17,;35.18,-15.95,;35.2,-17.49,;33.88,-18.28,;32.55,-17.5,;32.56,-15.96,;31.24,-15.17,;29.9,-15.93,;28.57,-15.15,;28.58,-13.61,;29.93,-12.85,;31.26,-13.63,;29.95,-11.31,;28.62,-10.53,;27.28,-11.28,;27.26,-12.82,;25.92,-13.58,;27.23,-15.9,;25.9,-15.12,;27.21,-17.44,;28.53,-18.23,;29.88,-17.47,;31.21,-18.25,)|
Structure:
Search PDB for entries with ligand similarity: