Reaction Details Report a problem with these data
Target
Plasminogen activator inhibitor 1
Ligand
BDBM175546
Substrate
n/a
Meas. Tech.
Fluorometric Plate Assay
pH
7.8±n/a
Temperature
296.15±n/a K
IC50
50±n/a nM
Comments
extracted
Citation
 Lawrence, DA; Emal, C; Cale, J; Su, EJ; Warnock, M; Li, S; Cupp, JA Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism US Patent  US9120744 Publication Date 9/1/2015 
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:
BDBM175546
Synonyms:
US9120744, CDE-061
Type:
Small organic molecule
Emp. Form.:
C20H20O10
Mol. Mass.:
420.3668
SMILES:
Oc1cc(cc(O)c1O)C(=O)O[C@H]1CC[C@H](CC1)OC(=O)c1cc(O)c(O)c(O)c1 |r,wU:15.19,12.12,(6.67,-5.39,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;8,-3.08,;9.34,-3.85,;4,-.77,;4,.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-9.34,.77,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-6.67,5.39,;-5.33,3.08,)|
Structure:
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