Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283632
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition of hPK
pH
7.5±n/a
IC50
<100±n/a nM
Comments
extracted
Citation
 McDonald, A; Qian, S Therapeutic inhibitory compounds US Patent  US10023557 Publication Date 7/17/2018 
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:
BDBM283632
Synonyms:
N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-(2,3-difluoroethyl)quinolin-6- yl)methyl)isonicotinamide | US10023557, Example 279 | US10308637, Example 279
Type:
Small organic molecule
Emp. Form.:
C25H23F2N5O
Mol. Mass.:
447.4798
SMILES:
Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(CC(F)F)cc3c2)c1
Structure:
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