Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM200050
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
IC50
2500±n/a nM
Citation
 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Benzylamine derivatives as inhibitors of plasma kallikrein US Patent  US9234000 Publication Date 1/12/2016 
Target
Name:
Kallikrein-1
Synonyms:
KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein
Type:
Enzyme
Mol. Mass.:
28874.69
Organism:
Homo sapiens (Human)
Description:
P06870
Residue:
262
Sequence:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWVLTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHDLMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKILPNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNKPSVAVRVLSYVKWIEDTIAENS
  
Inhibitor
Name:
BDBM200050
Synonyms:
US9234000, 41
Type:
Small organic molecule
Emp. Form.:
C27H35Cl2FN4O2
Mol. Mass.:
537.497
SMILES:
CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(CN)c(F)c1
Structure:
Search PDB for entries with ligand similarity: