Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM283367
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:
BDBM283367
Synonyms:
N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl)-2-((3-methyl-8- (methylsulfonyl)quinolin-6- yl)methyl)isonicotinamide | US10023557, Example 19 | US10266515, Example 19 | US10308637, Example 19 | US11021463, Example 19 | US9611252, Example 19
Type:
Small organic molecule
Emp. Form.:
C26H22ClN5O3S
Mol. Mass.:
520.003
SMILES:
Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cnc4[nH]cc(Cl)c4c3)cc2c1)S(C)(=O)=O
Structure:
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