Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283393
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition Assay
IC50
550±n/a nM
Citation
 McDonald, A; Qian, S Therapeutic inhibitory compounds US Patent  US9611252 Publication Date 4/4/2017 
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:
BDBM283393
Synonyms:
2-((2-(aminomethyl)quinolin-6-yl)methyl)-N- ((3-chloro-6-fluoro-1H-indol-5- yl)methyl)isonicotinamide | US10023557, Example 45 | US10308637, Example 45 | US11021463, Example 45 | US9611252, Example 45
Type:
Small organic molecule
Emp. Form.:
C26H21ClFN5O
Mol. Mass.:
473.929
SMILES:
NCc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccc2n1
Structure:
Search PDB for entries with ligand similarity: