Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM246161
Substrate
BDBM246301
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
14.5±n/a nM
Comments
extracted
Citation
 Röhrig, S; Hillisch, A; Straβburger, J; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Buchmüller, A; Gerdes, C; Schäfer, M; Kinzel, T; Teller, H; Schirok, H; Klar, J; Nunez, EJ Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders US Patent  US9434690 Publication Date 9/6/2016 
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:
BDBM246161
Synonyms:
US10183932, Example 140 | US9434690, 140 | US9434690, 66 | US9434690, 67 | US9434690, 68 | US9822102, Example 140
Type:
Small organic molecule
Emp. Form.:
C24H20ClN3O5
Mol. Mass.:
465.886
SMILES:
CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM246301
Synonyms:
US9434690, H-Pro-Phe-Arg-AMC
Type:
Substrate
Emp. Form.:
C30H37N7O5
Mol. Mass.:
575.6587
SMILES:
Cc1cc(=O)oc2cc(NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3)ccc12
Structure:
Search PDB for entries with ligand similarity: