Reaction Details Report a problem with these data
Target
Dual specificity mitogen-activated protein kinase kinase 1 [2-31,52-393,S218E,S222D]
Ligand
BDBM50337922
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.3±0
Temperature
298.15±0 K
IC50
>16±0.0 nM
Citation
 Dong, Q; Kaldor, SW MAPK/ERK kinase inhibitors US Patent  US8470837 Publication Date 6/25/2013 
Target
Name:
Dual specificity mitogen-activated protein kinase kinase 1 [2-31,52-393,S218E,S222D]
Synonyms:
Dual specificity mitogen-activated protein kinase kinase 1 | MAP2K1 | MEK1 | MP2K1_HUMAN | PRKMK1
Type:
Protein
Mol. Mass.:
40898.07
Organism:
Homo sapiens (Human)
Description:
Q02750[2-31,52-393,S218E,S222D]
Residue:
372
Sequence:
PKKKPTPIQLNPAPDGSAVNGTSSAETNLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDEMANDFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLNQPSTPTHAAGV
  
Inhibitor
Name:
BDBM50337922
Synonyms:
(S)-3-(2,4-dihydroxybutyl)-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione | CHEMBL1684065 | US8470837, 39
Type:
Small organic molecule
Emp. Form.:
C18H18FIN4O4
Mol. Mass.:
500.2628
SMILES:
Cn1c2ncn(C[C@@H](O)CCO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O |r|
Structure:
Search PDB for entries with ligand similarity: