Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50083747
Substrate
n/a
Meas. Tech.
ChEBML_212703
IC50
4.2±n/a nM
Citation
 Ho, JZ; Levy, OE; Gibson, TS; Nguyen, K; Semple, JE Exploratory solid-phase synthesis of factor Xa inhibitors: discovery and application of p3-heterocyclic amides as novel types of non-basic arginine surrogates. Bioorg Med Chem Lett 9:3459-64 (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:
BDBM50083747
Synonyms:
CHEMBL325869 | Cinnoline-4-carboxylic acid ((R)-3-{[((S)-1-carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-carbamoyl}-3-phenylmethanesulfonylamino-propyl)-amide
Type:
Small organic molecule
Emp. Form.:
C28H35N9O6S
Mol. Mass.:
625.699
SMILES:
NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cnnc3ccccc23)NS(=O)(=O)Cc2ccccc2)C1O
Structure:
Search PDB for entries with ligand similarity: