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Target
Plasma kallikrein
Ligand
BDBM528077
Substrate
n/a
Meas. Tech.
Determination of the IC50 for plasma kallikrein
IC50
110±n/a nM
Citation
 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP Pyrazole derivatives as plasma kallikrein inhibitors US Patent  US11180484 Publication Date 11/23/2021 
Target
Name:
Plasma kallikrein
Synonyms:
Fletcher factor | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein | KLKB1_HUMAN | KLKB1 | KLK3
Type:
Protein
Mol. Mass.:
71391.16
Organism:
Human
Description:
P03952
Residue:
638
Sequence:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFFTFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGVDFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRIAYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
  
Inhibitor
Name:
BDBM528077
Synonyms:
N-i6-chloro-2-fluoro-3-methoxybenzyl)-1 -ii2-methylquinolin-6-yl)methyl)-1 H-1 ,2,3-triazole-4-carboxamide | US11180484, Example 14 from WO 013/111108
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COc1ccc(Cl)c(CNC(=O)c2cn(Cc3ccc4nc(C)ccc4c3)nn2)c1F
Structure:
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