Target
Plasma kallikrein
Ligand
BDBM283454
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, AQian, 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:
BDBM283454
Synonyms:
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((5-chloro-2H-indazol-2- yl)methyl)isonicotinamide | US10023557, Example 106 | US10023557, Example 107 | US10023557, Example 199 | US10266515, Example 107 | US10308637, Example 199 | US11021463, Example 106 | US9611252, Example 106
Type:
Small organic molecule
Emp. Form.:
C22H21ClN6O
Mol. Mass.:
420.895
SMILES:
Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1
Structure:
Search PDB for entries with ligand similarity: