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Target
Plasminogen activator inhibitor 1
Ligand
BDBM50132858
Substrate
n/a
Meas. Tech.
ChEBML_155612
IC50
900±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:
BDBM50132858
Synonyms:
4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxy)-acetylamino]-4-nitro-phenylamino}-cyclohexanecarboxylic acid | CHEMBL321224
Type:
Small organic molecule
Emp. Form.:
C25H37N3O6
Mol. Mass.:
475.5778
SMILES:
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N[C@H]2CC[C@H](CC2)C(O)=O)ccc1[N+]([O-])=O |wU:9.10,22.26,19.19,6.6,wD:3.2,(8.21,-9.74,;6.7,-10.09,;6.25,-11.57,;5.66,-8.97,;4.17,-9.3,;3.11,-8.17,;3.56,-6.7,;2.5,-5.55,;5.05,-6.37,;6.12,-7.5,;7.63,-7.15,;8.08,-5.67,;9.59,-5.34,;10.63,-6.47,;10.05,-3.87,;11.58,-3.63,;12.53,-4.85,;14.06,-4.62,;15.01,-5.83,;14.44,-7.26,;15.41,-8.46,;14.84,-9.91,;13.29,-10.12,;12.36,-8.9,;12.92,-7.47,;12.34,-11.36,;10.81,-11.15,;12.92,-12.78,;14.63,-3.19,;13.65,-1.97,;12.13,-2.21,;11.16,-.99,;11.72,.44,;9.64,-1.22,)|
Structure:
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