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Target
Plasma kallikrein
Ligand
BDBM306426
Substrate
n/a
Meas. Tech.
In Vitro Plasma Kallikrein Inhibition Assay
IC50
6.31±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:
BDBM306426
Synonyms:
(+-)-N-[(6-amino-2,4- dimethylpyridin-3-yl)methyl]- 12-(2-cyano-4-fluorophenyl)-15- oxatetracyclo[6.6.1.02,7.09,14] pentadeca-2,4,6,9,11,13- hexaene-4-carboxamide and (+-)-N-[(6-amino-2,4- dimethylpyridin-3-yl)methyl]- 11-(2-cyano-4-fluorophenyl)- 15-oxatetracyclo-[6.6.1.02,7.09,14] pentadeca-2,4,6,9,11,13- hexaene-4-carboxamide | BDBM306427 | US10144746, Compound 68
Type:
Small organic molecule
Emp. Form.:
C30H23FN4O2
Mol. Mass.:
490.5276
SMILES:
Cc1cc(N)nc(C)c1CNC(=O)c1ccc2C3OC(c2c1)c1cc(ccc31)-c1ccc(F)cc1C#N
Structure:
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