Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50533268
Substrate
n/a
Meas. Tech.
ChEMBL_1924851 (CHEMBL4427807)
IC50
160±n/a nM
Citation
 Brandl, T; Simic, O; Skaanderup, PR; Namoto, K; Berst, F; Ehrhardt, C; Schiering, N; Mueller, I; Woelcke, J Trypsin inhibitors for the treatment of pancreatitis. Bioorg Med Chem Lett 26:4340-4 (2016) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1
Type:
Enzyme
Mol. Mass.:
26557.80
Organism:
Homo sapiens (Human)
Description:
P07477
Residue:
247
Sequence:
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIKNTIAANS
  
Inhibitor
Name:
BDBM50533268
Synonyms:
CHEMBL4557806
Type:
Small organic molecule
Emp. Form.:
C27H32N6O3
Mol. Mass.:
488.5814
SMILES:
COc1cc(ccc1CN)C(=O)N1C[C@H](C[C@H]1C(=O)NCCc1ccccc1)n1cc(nn1)C1CC1 |r|
Structure:
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