Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM359706
Substrate
n/a
Meas. Tech.
Plasma kallikrein inhibitory activity
IC50
234±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:
BDBM359706
Synonyms:
N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(3-methoxypyrrolidin-1-yl)pyridin-4-yl]methyl}pyridine-3-carboxamide | US10221161, Example 88 | US11242333, Example 92
Type:
Small organic molecule
Emp. Form.:
C27H28N6O2
Mol. Mass.:
468.5502
SMILES:
COC1CCN(C1)c1cc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)ccn1
Structure:
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