Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50085521
Substrate
n/a
Meas. Tech.
ChEBML_213207
Ki
282±n/a nM
Citation
 Galemmo, RA; Wells, BL; Rossi, KA; Alexander, RS; Dominguez, C; Maduskuie, TP; Stouten, PF; Wright, MR; Aungst, BJ; Wong, PC; Knabb, RM; Wexler, RR The de novo design and synthesis of cyclic urea inhibitors of factor Xa: optimization of the S4 ligand. Bioorg Med Chem Lett 10:301-4 (2000) [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:
BDBM50085521
Synonyms:
CHEMBL553840 | Cyclic urea 2,4-diazepin-3-one analogue
Type:
Small organic molecule
Emp. Form.:
C24H32N5O
Mol. Mass.:
406.5432
SMILES:
NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Structure:
Search PDB for entries with ligand similarity: