Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283542
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, A; Qian, 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:
BDBM283542
Synonyms:
N-((3-chloro-6-methyl-1H-pyrrolo[2,3- b]pyridin-5-yl)methyl)-2-((3-chloroquinolin-6- yl)methyl)isonicotinamide | US10023557, Example 191 | US10308637, Example 191
Type:
Small organic molecule
Emp. Form.:
C25H19Cl2N5O
Mol. Mass.:
476.357
SMILES:
Cc1nc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Structure:
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