Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50029498
Substrate
n/a
Meas. Tech.
ChEMBL_212346 (CHEMBL816793)
IC50
9.6±n/a nM
Citation
 Shuman, RT; Rothenberger, RB; Campbell, CS; Smith, GF; Gifford-Moore, DS; Paschal, JW; Gesellchen, PD Structure-activity study of tripeptide thrombin inhibitors using alpha-alkyl amino acids and other conformationally constrained amino acid substitutions. J Med Chem 38:4446-53 (1995) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bos taurus (bovine)
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
  
Inhibitor
Name:
BDBM50029498
Synonyms:
1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-butylcarbamoyl]-1-azetanyl}-1-methyl-2-oxo-1-phenyl-(1R)-ethyl]-2,2,2-trifluoroacetamide | CHEMBL2370864
Type:
Small organic molecule
Emp. Form.:
C21H27F3N6O4
Mol. Mass.:
484.4721
SMILES:
[#6][C@]([#7]-[#6](=O)C(F)(F)F)([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: