Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM306530
Substrate
n/a
Meas. Tech.
In Vitro Plasma Kallikrein Inhibition Assay
IC50
3.02±n/a nM
Citation
 Li, Z; Zancanella, M; Yu, C; Setti, LQ; Sham, H; Xu, Q; Yee, CW; Yu, M Bridged bicyclic kallikrein inhibitors US Patent  US10144746 Publication Date 12/4/2018 
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:
BDBM306530
Synonyms:
(+-)-N-{[6-amino-2-methyl-4- (propan-2-yl)pyridin-3- yl]methyl}-12-(2,4- difluorophenyl)-15-oxatetra- cyclo[6.6.1.02,7.09,14]pentadeca- 2,4,6,9,11,13-hexaene-4- carboxamide | US10144746, Compound 173
Type:
Small organic molecule
Emp. Form.:
C31H27F2N3O2
Mol. Mass.:
511.5618
SMILES:
CC(C)c1cc(N)nc(C)c1CNC(=O)c1ccc2C3OC(c2c1)c1cc(ccc31)-c1ccc(F)cc1F
Structure:
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