Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50290019
Substrate
n/a
Meas. Tech.
ChEBML_212342
IC50
100±n/a nM
Citation
 Salimbeni, A; Paleari, F; Canevotti, R; Criscuoli, M; Criscuoli, M; Lippi, A; Angiolini, M; Belvisi, L; Scolastico, C; Colombo, L Design and synthesis of conformationally constrained arginal thrombin inhibitors Bioorg Med Chem Lett 7:2205-2210 (1997)    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:
BDBM50290019
Synonyms:
(3S,6S,9aS)-6-(3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid ((S)-1-carbamimidoyl-2-hydroxy-piperidin-3-yl)-amide; hydrochloride | CHEMBL544760
Type:
Small organic molecule
Emp. Form.:
C26H39N7O5S
Mol. Mass.:
561.697
SMILES:
CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|
Structure:
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