Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283535
Substrate
n/a
Meas. Tech.
In Vitro Contact Cellular Assay
EC50
<100±n/a nM
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:
BDBM283535
Synonyms:
N-((1-amino-5-methylisoquinolion-6-yl)methyl)- 2-((3-(trifluoromethyl)quinolin-6- yl)methyl)isonicotinamide | US10023557, Example 184 | US10308637, Example 184
Type:
Small organic molecule
Emp. Form.:
C28H22F3N5O
Mol. Mass.:
501.5024
SMILES:
Cc1c(CNC(=O)c2ccnc(Cc3ccc4ncc(cc4c3)C(F)(F)F)c2)ccc2c(N)nccc12
Structure:
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