Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283493
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition
IC50
<100±n/a nM
Citation
 McDonald, A; Qian, S Therapeutic inhibitory compounds US Patent  US10266515 Publication Date 4/23/2019 
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:
BDBM283493
Synonyms:
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((3-methylisoquinolin-6- yl)methyl)isonicotinamide | US10023557, Example 145 | US10266515, Example 145 | US10308637, Example 145 | US11021463, Example 145 | US9611252, Example 145
Type:
Small organic molecule
Emp. Form.:
C25H25N5O
Mol. Mass.:
411.4989
SMILES:
Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2cn1
Structure:
Search PDB for entries with ligand similarity: