Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283559
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:
BDBM283559
Synonyms:
N4-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 6-((3-chloroquinolin-6-yl)methyl)pyridine-2,4- dicarboxamide | US10023557, Example 208 | US10023557, Example 209 | US10308637, Example 208
Type:
Small organic molecule
Emp. Form.:
C25H23ClN6O2
Mol. Mass.:
474.942
SMILES:
Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(c1)C(N)=O
Structure:
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