Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM276779
Substrate
n/a
Meas. Tech.
Plasma Kallikrein Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
2.20±n/a nM
Comments
extracted
Citation
 Röhrig, S; Jimenez Núnez, E; Schlemmer, K; Tersteegen, A; Teller, H; Hillisch, A; Heitmeier, S; Schmidt, MV; Stampfuß, J Substituted oxopyridine derivatives US Patent  US10071995 Publication Date 9/11/2018 
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:
BDBM276779
Synonyms:
5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(1-methyl-1H-pyrazol-3-yl)propanoyl}amino)thiophene-2-carboxamide (racemate) | US10071995, Example 13 | US10071995, Example 14
Type:
Small organic molecule
Emp. Form.:
C25H21ClN6O4S
Mol. Mass.:
536.99
SMILES:
COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Structure:
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