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Target
Plasma kallikrein
Ligand
BDBM50525900
Substrate
n/a
Meas. Tech.
ChEMBL_1898428 (CHEMBL4400463)
IC50
79±n/a nM
Citation
 Walker, AL; Denis, A; Bingham, RP; Bouillot, A; Edgar, EV; Ferrie, A; Holmes, DS; Laroze, A; Liddle, J; Fouchet, MH; Moquette, A; Nassau, P; Pearce, AC; Polyakova, O; Smith, KJ; Thomas, P; Thorpe, JH; Trottet, L; Wang, Y; Hovnanian, A Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article
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:
BDBM50525900
Synonyms:
CHEMBL4460168
Type:
Small organic molecule
Emp. Form.:
C22H23BClN3O3
Mol. Mass.:
423.7
SMILES:
Cl.Cc1cccc2CC(OB(O)c12)c1ccc(C(N)=N)c(OCc2cccnc2)c1
Structure:
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