Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM50175075
Substrate
n/a
Meas. Tech.
ChEMBL_326966 (CHEMBL853302)
Ki
>19400±n/a nM
Citation
 Shi, Y; Zhang, J; Stein, PD; Shi, M; O'Connor, SP; Bisaha, SN; Li, C; Atwal, KS; Bisacchi, GS; Sitkoff, D; Pudzianowski, AT; Liu, EC; Hartl, KS; Seiler, SM; Youssef, S; Steinbacher, TE; Schumacher, WA; Rendina, AR; Bozarth, JM; Peterson, TL; Zhang, G; Zahler, R Ketene aminal-based lactam derivatives as a novel class of orally active FXa inhibitors. Bioorg Med Chem Lett 15:5453-8 (2005) [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:
BDBM50175075
Synonyms:
(S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran-5-ylamino)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)acrylate | CHEMBL198629
Type:
Small organic molecule
Emp. Form.:
C29H37N5O6
Mol. Mass.:
551.634
SMILES:
Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|
Structure:
Search PDB for entries with ligand similarity: