Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283408
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition Assay
IC50
<100±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:
BDBM283408
Synonyms:
3-chloro-6-((4-(((5-chloro-1H-indazol-3- yl)methyl)carbamoyl)pyridin-2- yl)methyl)quinoline-8-carboxamide | US10023557, Example 60 | US10266515, Example 60 | US10308637, Example 60 | US11021463, Example 60 | US9611252, Example 60
Type:
Small organic molecule
Emp. Form.:
C25H18Cl2N6O2
Mol. Mass.:
505.355
SMILES:
NC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2n[nH]c3ccc(Cl)cc23)cc2cc(Cl)cnc12
Structure:
Search PDB for entries with ligand similarity: