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Target
Serine protease 1
Ligand
BDBM50080905
Substrate
n/a
Meas. Tech.
ChEBML_212710
IC50
3800±n/a nM
Citation
 Cody, WL; Cai, C; Doherty, AM; Edmunds, JJ; He, JX; Narasimhan, LS; Plummer, JS; Rapundalo, ST; Rubin, JR; Van Huis, CA; St-Denis, Y; Winocour, PD; Siddiqui, MA The design of potent and selective inhibitors of thrombin utilizing a piperazinedione template: part 1. Bioorg Med Chem Lett 9:2497-502 (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:
BDBM50080905
Synonyms:
CHEMBL83681 | N-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-2-[(S)-2-(4-methoxy-benzyl)-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C35H43N7O5S
Mol. Mass.:
673.825
SMILES:
COc1ccc(C[C@@H]2N(CC(=O)N[C@@H](CC3CCCN(C3)C(N)=N)C(=O)c3nccs3)C(=O)CN(CCCc3ccccc3)C2=O)cc1
Structure:
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