Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM394173
Substrate
n/a
Meas. Tech.
Kallikrein Assay
IC50
879±n/a nM
Citation
 Mertz, E; Edmondson, SD; Hruza, A; He, J; So, S; Ali, A; Gao, Y Factor XIa inhibitors US Patent  US9975874 Publication Date 5/22/2018 
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:
BDBM394173
Synonyms:
4-{3-[(1S)-1- {5-[5-chloro-2- (1H-tetrazol- 1-yl)phenyl]-1- oxidopyridin- 2-yl}-2- phenylethyl] phenyl}-N- cyclopentyl piperidine-1- carboxamide | US9975874, Example 47
Type:
Small organic molecule
Emp. Form.:
C37H38ClN7O2
Mol. Mass.:
648.196
SMILES:
[O-][n+]1cc(ccc1[C@@H](Cc1ccccc1)c1cccc(c1)C1CCN(CC1)C(=O)NC1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 |r|
Structure:
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