Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM359672
Substrate
n/a
Meas. Tech.
Plasma kallikrein inhibitory activity
IC50
240±n/a nM
Citation
 Edwards, HJ; Evans, DM; Meghani, P; Novak, AR Inhibitors of plasma kallikrein US Patent  US10221161 Publication Date 3/5/2019 
Target
Name:
Plasma kallikrein
Synonyms:
Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:
Protein
Mol. Mass.:
71391.16
Organism:
Homo sapiens (Human)
Description:
P03952
Residue:
638
Sequence:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFFTFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGVDFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRIAYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
  
Inhibitor
Name:
BDBM359672
Synonyms:
N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]methyl}pyridine-3-carboxamide | US10221161, Example 57 | US11242333, Example 57
Type:
Small organic molecule
Emp. Form.:
C26H24F2N6O
Mol. Mass.:
474.5052
SMILES:
Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCC(F)(F)C4)c3)ccc12
Structure:
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