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Target
Plasminogen activator inhibitor 1
Ligand
BDBM50132874
Substrate
n/a
Meas. Tech.
ChEBML_155612
IC50
530±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:
BDBM50132874
Synonyms:
3-Hydroxy-4-({6-[2-((1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyloxy)-acetylamino]-pyridin-3-ylamino}-methyl)-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid | CHEMBL113249
Type:
Small organic molecule
Emp. Form.:
C35H41N3O9
Mol. Mass.:
647.7147
SMILES:
COc1cc(C(O)=O)c2Oc3c(CNc4ccc(NC(=O)CO[C@@H]5C[C@H](C)CC[C@H]5C(C)C)nc4)c(O)cc(C)c3C(=O)Oc2c1C
Structure:
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