Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM408691
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
219±n/a nM
Citation
 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors US Patent  US11001578 Publication Date 5/11/2021 
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:
BDBM408691
Synonyms:
N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1-({4-[(4-methylpyrazol-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide | US10364238, Example 15 | US11001578, Example 15 | US11084809, Example 15 | US11198691, Example 15
Type:
Small organic molecule
Emp. Form.:
C25H20F7N5O
Mol. Mass.:
539.448
SMILES:
Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(F)cccc4C(F)(F)F)c(n3)C(F)(F)F)cc2)c1
Structure:
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