Target
Plasma kallikrein
Ligand
BDBM283402
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition Assay
IC50
<100±n/a nM
Citation
 McDonald, AQian, 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:
BDBM283402
Synonyms:
N-((5-chloro-1H-indazol-3-yl)methyl)-2-((3- chloro-8-cyanoquinolin-6- yl)methyl)isonicotinamide | US10023557, Example 54 | US10266515, Example 54 | US10308637, Example 54 | US11021463, Example 54 | US9611252, Example 54
Type:
Small organic molecule
Emp. Form.:
C25H16Cl2N6O
Mol. Mass.:
487.34
SMILES:
Clc1ccc2[nH]nc(CNC(=O)c3ccnc(Cc4cc(C#N)c5ncc(Cl)cc5c4)c3)c2c1
Structure:
Search PDB for entries with ligand similarity: