Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM392591
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition
IC50
<100±n/a nM
Citation
 McDonald, A; Qian, S Therapeutic inhibitory compounds US Patent  US10781200 Publication Date 9/22/2020 
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:
BDBM392591
Synonyms:
6-((4-(((6-amino-2,4-dimethylpyridin- 3-yl)methyl)carbamoyl)-3-cyano-1H- pyrazol-1-yl)methyl)-3- methylquinoline-8-carboxamide | US10301284, Example 78 | US10781200, Example 78
Type:
Small organic molecule
Emp. Form.:
C25H24N8O2
Mol. Mass.:
468.5105
SMILES:
Cc1cnc2c(cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(n3)C#N)cc2c1)C(N)=O
Structure:
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