Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM19491
Substrate
BDBM19517
Meas. Tech.
Enzyme Inhibition Assay
IC50
7740±n/a nM
Citation
 Gauthier, JY; Black, WC; Courchesne, I; Cromlish, W; Desmarais, S; Houle, R; Lamontagne, S; Li, CS; Massé, F; McKay, DJ; Ouellet, M; Robichaud, J; Truchon, JF; Truong, VL; Wang, Q; Percival, MD The identification of potent, selective, and bioavailable cathepsin S inhibitors. Bioorg Med Chem Lett 17:4929-33 (2007) [PubMed]  Article 
Target
Name:
Cathepsin B
Synonyms:
APP secretase | APPS | CATB_HUMAN | CPSB | CTSB | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1
Type:
Enzyme
Mol. Mass.:
37819.69
Organism:
Homo sapiens (Human)
Description:
gi_63102437
Residue:
339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCGTFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
  
Inhibitor
Name:
BDBM19491
Synonyms:
(2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methanesulfonylphenyl)phenyl]ethyl]amino}pentanamide | trifluoroethylamine inhibitor, 1
Type:
Small organic molecule
Emp. Form.:
C25H28F3N3O3S
Mol. Mass.:
507.568
SMILES:
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19517
Synonyms:
Boc-Leu-Lys-Arg-AMC | Fluorogenic substrate
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: