Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM408681
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
1270±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:
BDBM408681
Synonyms:
N-[(2,4-dimethoxyphenyl)methyl]-1-({4-[(4-methylpyrazol-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide | US10364238, Example 10 | US11001578, Example 10 | US11084809, Example 10 | US11198691, Example 10
Type:
Small organic molecule
Emp. Form.:
C26H26F3N5O3
Mol. Mass.:
513.5115
SMILES:
COc1ccc(CNC(=O)c2cn(Cc3ccc(Cn4cc(C)cn4)cc3)nc2C(F)(F)F)c(OC)c1
Structure:
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