Reaction Details Report a problem with these data
Target
Plasminogen activator inhibitor 1
Ligand
BDBM50132863
Substrate
n/a
Meas. Tech.
ChEBML_155612
IC50
500±n/a nM
Citation
 Ye, B; Bauer, S; Buckman, BO; Ghannam, A; Griedel, BD; Khim, SK; Lee, W; Sacchi, KL; Shaw, KJ; Liang, A; Wu, Q; Zhao, Z Synthesis and biological evaluation of menthol-based derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1). Bioorg Med Chem Lett 13:3361-5 (2003) [PubMed]  Article 
Target
Name:
Plasminogen activator inhibitor 1
Synonyms:
Endothelial plasminogen activator inhibitor | PAI | PAI-1 | PAI1 | PAI1_HUMAN | PLANH1 | Plasminogen activator inhibitor 1 | Plasminogen activator inhibitor 1 (PAI-1) | Plasminogen activator inhibitor-1 | Plasminogen activator-1 (PAI-1) | SERPINE1
Type:
Enzyme
Mol. Mass.:
45064.00
Organism:
Homo sapiens (Human)
Description:
P05121
Residue:
402
Sequence:
MQMSPALTCLVLGLALVFGEGSAVHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRSTVKQVDFSEVERARFIINDWVKTHTKGMISNLLGKGAVDQLTRLVLVNALYFNGQWKTPFPDSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAPYEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFRQFQADFTSLSDQEPLHVAQALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIMDRPFLFVVRHNPTGTVLFMGQVMEP
  
Inhibitor
Name:
BDBM50132863
Synonyms:
2-{2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxy)-acetylamino]-methyl}-phenylamino)-methyl]-6-methoxy-phenoxy}-nicotinic acid | CHEMBL111847
Type:
Small organic molecule
Emp. Form.:
C33H41N3O6
Mol. Mass.:
575.6951
SMILES:
COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ncccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: