Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50081092
Substrate
n/a
Meas. Tech.
ChEBML_212702
IC50
1.5±n/a nM
Citation
 Tamura, SY; Goldman, EA; Bergum, PW; Semple, JE Novel benzo-fused lactam scaffolds as factor Xa inhibitors. Bioorg Med Chem Lett 9:2573-8 (1999) [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:
BDBM50081092
Synonyms:
CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-3-cyclohexylmethanesulfonylamino-7-methoxy-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide; TFA
Type:
Small organic molecule
Emp. Form.:
C26H40N6O6S
Mol. Mass.:
564.697
SMILES:
COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)CC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: