Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM492880
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition
IC50
10000±n/a nM
Citation
 McDonald, A; Qian, S Therapeutic inhibitory compounds US Patent  US10981893 Publication Date 4/20/2021 
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:
BDBM492880
Synonyms:
N-((3-chloro-6-fluoro- 1H-indol-5-yl)methyl)- 2-((3-((N- cyclopropylacetamido) methyl)-1H-pyrazol-1- yl)methyl) isonicotinamide | US10981893, Example 9
Type:
Small organic molecule
Emp. Form.:
C25H24ClFN6O2
Mol. Mass.:
494.948
SMILES:
CC(=O)N(Cc1ccn(Cc2cc(ccn2)C(=O)NCc2cc3c(Cl)c[nH]c3cc2F)n1)C1CC1
Structure:
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