Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM50531924
Substrate
n/a
Meas. Tech.
ChEMBL_1921543 (CHEMBL4424388)
Ki
>25000±n/a nM
Citation
 Wang, D; Yang, Y; Jiang, L; Wang, Y; Li, J; Andreasen, PA; Chen, Z; Huang, M; Xu, P Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides. J Med Chem 62:2172-2183 (2019) [PubMed]  Article 
Target
Name:
Plasma kallikrein
Synonyms:
3.4.21.34 | Fletcher factor | KLKB1_MOUSE | Kininogenin | Klk3 | Klkb1 | Pk | Plasma kallikrein | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:
PROTEIN
Mol. Mass.:
71398.99
Organism:
Mus musculus
Description:
ChEMBL_103492
Residue:
638
Sequence:
MILFNRVGYFVSLFATVSCGCMTQLYKNTFFRGGDLAAIYTPDAQYCQKMCTFHPRCLLFSFLAVTPPKETNKRFGCFMKESITGTLPRIHRTGAISGHSLKQCGHQISACHRDIYKGLDMRGSNFNISKTDNIEECQKLCTNNFHCQFFTYATSAFYRPEYRKKCLLKHSASGTPTSIKSADNLVSGFSLKSCALSEIGCPMDIFQHSAFADLNVSQVITPDAFVCRTICTFHPNCLFFTFYTNEWETESQRNVCFLKTSKSGRPSPPIPQENAISGYSLLTCRKTRPEPCHSKIYSGVDFEGEELNVTFVQGADVCQETCTKTIRCQFFIYSLLPQDCKEEGCKCSLRLSTDGSPTRITYGMQGSSGYSLRLCKLVDSPDCTTKINARIVGGTNASLGEWPWQVSLQVKLVSQTHLCGGSIIGRQWVLTAAHCFDGIPYPDVWRIYGGILSLSEITKETPSSRIKELIIHQEYKVSEGNYDIALIKLQTPLNYTEFQKPICLPSKADTNTIYTNCWVTGWGYTKEQGETQNILQKATIPLVPNEECQKKYRDYVINKQMICAGYKEGGTDACKGDSGGPLVCKHSGRWQLVGITSWGEGCARKDQPGVYTKVSEYMDWILEKTQSSDVRALETSSA
  
Inhibitor
Name:
BDBM50531924
Synonyms:
CHEMBL4464577
Type:
Small organic molecule
Emp. Form.:
C49H71N13O14S2
Mol. Mass.:
1130.297
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC1=O)C(O)=O |r|
Structure:
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