Target
Plasma kallikrein
Ligand
BDBM392580
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition
IC50
5500±n/a nM
Citation
 McDonald, AQian, 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:
BDBM392580
Synonyms:
N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-cyano-1-((8-(2- hydroxypropan-2-yl)-3- methylquinolin-6-yl)methyl)-1H- pyrazole-4-carboxamide | US10301284, Example 67 | US10781200, Example 67
Type:
Small organic molecule
Emp. Form.:
C27H29N7O2
Mol. Mass.:
483.5649
SMILES:
Cc1cnc2c(cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C#N)cc2c1)C(C)(C)O
Structure:
Search PDB for entries with ligand similarity: