Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM303785
Substrate
n/a
Meas. Tech.
Determination of the Plasma Kallikrein Activity
IC50
>50000±n/a nM
Citation
 Röhrig, S; Hillisch, A; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Schäfer, M; Teller, H; Jimènez Nùnez, E Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives US Patent  US10138236 Publication Date 11/27/2018 
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:
BDBM303785
Synonyms:
4-{[2-(10′-Chloro-2′,5′-dioxo-5′,6′-dihydrospiro[cyclopropane-1,7′-pyrido[3,4-d][2]benzazepine]-3′(2′H)-yl)butanoyl]amino}benzoic acid (Stereoisomer Mixture) | US10138236, Example 3
Type:
Small organic molecule
Emp. Form.:
C26H22ClN3O5
Mol. Mass.:
491.923
SMILES:
CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1C1(CC1)NC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Structure:
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