Reaction Details Report a problem with these data
Target
Transcription factor Jun
Ligand
BDBM50044553
Substrate
n/a
Meas. Tech.
ChEMBL_1458002 (CHEMBL3367176)
IC50
500±n/a nM
Citation
 Ye, N; Ding, Y; Wild, C; Shen, Q; Zhou, J Small molecule inhibitors targeting activator protein 1 (AP-1). J Med Chem 57:6930-48 (2014) [PubMed]  Article 
Target
Name:
Transcription factor Jun
Synonyms:
AP1 | Activator protein 1 | JUN | JUN_HUMAN | Proto-oncogene c-JUN | Transcription factor AP-1 | Transcription factor AP1 | V-jun avian sarcoma virus 17 oncogene homolog | p39
Type:
n/a
Mol. Mass.:
35683.24
Organism:
Homo sapiens (Human)
Description:
P05412
Residue:
331
Sequence:
MTAKMETTFYDDALNASFLPSESGPYGYSNPKILKQSMTLNLADPVGSLKPHLRAKNSDLLTSPDVGLLKLASPELERLIIQSSNGHITTTPTPTQFLCPKNVTDEQEGFAEGFVRALAELHSQNTLPSVTSAAQPVNGAGMVAPAVASVAGGSGSGGFSASLHSEPPVYANLSNFNPGALSSGGGAPSYGAAGLAFPAQPQQQQQPPHHLPQQMPVQHPRLQALKEEPQTVPEMPGETPPLSPIDMESQERIKAERKRMRNRIAASKCRKRKLERIARLEEKVKTLKAQNSELASTANMLREQVAQLKQKVMNHVNSGCQLMLTQQLQTF
  
Inhibitor
Name:
BDBM50044553
Synonyms:
CHEMBL3341956
Type:
Small organic molecule
Emp. Form.:
C25H20N4O2S
Mol. Mass.:
440.517
SMILES:
CNc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1OC)-c1ccccc1 |(13.7,-39.27,;12.89,-37.97,;11.35,-38.01,;10.49,-39.29,;9.01,-38.86,;8.96,-37.31,;10.41,-36.8,;7.62,-36.55,;6.29,-37.32,;4.95,-36.56,;3.61,-37.33,;2.28,-36.56,;2.28,-35.02,;3.61,-34.25,;4.95,-35.01,;6.27,-34.23,;6.27,-32.69,;7.62,-35,;8.95,-34.23,;10.28,-35,;11.61,-34.22,;11.61,-32.68,;10.26,-31.92,;8.94,-32.69,;7.6,-31.93,;7.59,-30.39,;7.79,-39.8,;6.37,-39.21,;5.15,-40.15,;5.36,-41.68,;6.79,-42.26,;8,-41.32,)|
Structure:
Search PDB for entries with ligand similarity: