Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM423175
Substrate
n/a
Meas. Tech.
Endpoint Assay
IC50
1.000±n/a nM
Citation
 Frattini, S; Lingard, I; Hamprecht, DW; Bakker, RA; Eckhardt, M; Gollner, A; Hehn, JP; Langkopf, E; Wagner, H; Wellenzohn, B; Wiedenmayer, D Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors US Patent  US10501440 Publication Date 12/10/2019 
Target
Name:
Plasma kallikrein
Synonyms:
3.4.21.34 | Fletcher factor | KLKB1_RAT | Kininogenin | Klk3 | Klkb1 | Pk | Plasma kallikrein | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:
PROTEIN
Mol. Mass.:
71291.49
Organism:
Rattus norvegicus
Description:
ChEMBL_117397
Residue:
638
Sequence:
MILFKQVGYFVSLFATVSCGCLSQLYANTFFRGGDLAAIYTPDAQHCQKMCTFHPRCLLFSFLAVSPTKETDKRFGCFMKESITGTLPRIHRTGAISGHSLKQCGHQLSACHQDIYEGLDMRGSNFNISKTDSIEECQKLCTNNIHCQFFTYATKAFHRPEYRKSCLLKRSSSGTPTSIKPVDNLVSGFSLKSCALSEIGCPMDIFQHFAFADLNVSQVVTPDAFVCRTVCTFHPNCLFFTFYTNEWETESQRNVCFLKTSKSGRPSPPIIQENAVSGYSLFTCRKARPEPCHFKIYSGVAFEGEELNATFVQGADACQETCTKTIRCQFFTYSLLPQDCKAEGCKCSLRLSTDGSPTRITYEAQGSSGYSLRLCKVVESSDCTTKINARIVGGTNSSLGEWPWQVSLQVKLVSQNHMCGGSIIGRQWILTAAHCFDGIPYPDVWRIYGGILNLSEITNKTPFSSIKELIIHQKYKMSEGSYDIALIKLQTPLNYTEFQKPICLPSKADTNTIYTNCWVTGWGYTKERGETQNILQKATIPLVPNEECQKKYRDYVITKQMICAGYKEGGIDACKGDSGGPLVCKHSGRWQLVGITSWGEGCARKEQPGVYTKVAEYIDWILEKIQSSKERALETSPA
  
Inhibitor
Name:
BDBM423175
Synonyms:
US10501440, Example 6
Type:
Small organic molecule
Emp. Form.:
C27H33N7O
Mol. Mass.:
471.5972
SMILES:
CC(C)c1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N |r|
Structure:
Search PDB for entries with ligand similarity: