Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50532740
Substrate
n/a
Meas. Tech.
ChEMBL_1923727 (CHEMBL4426683)
Ki
>5400±n/a nM
Citation
 Andersson, V; Bergström, F; Brånalt, J; Grönberg, G; Gustafsson, D; Karlsson, S; Polla, M; Bergman, J; Kihlberg, J Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability. J Med Chem 59:6658-70 (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:
BDBM50532740
Synonyms:
CHEMBL4518749
Type:
Small organic molecule
Emp. Form.:
C26H27ClN4O6
Mol. Mass.:
526.969
SMILES:
CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1|
Structure:
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