Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50533254
Substrate
n/a
Meas. Tech.
ChEMBL_1924851 (CHEMBL4427807)
IC50
8.0±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:
BDBM50533254
Synonyms:
CHEMBL4550207
Type:
Small organic molecule
Emp. Form.:
C27H36N4O5
Mol. Mass.:
496.5985
SMILES:
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)N1CCc2c(C1)cccc2OCCOC |r|
Structure:
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