Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50152521
Substrate
n/a
Meas. Tech.
ChEMBL_306183 (CHEMBL830977)
IC50
>2000±n/a nM
Citation
 Barrett, DG; Catalano, JG; Deaton, DN; Hassell, AM; Long, ST; Miller, AB; Miller, LR; Shewchuk, LM; Wells-Knecht, KJ; Willard, DH; Wright, LL Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with good pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions. Bioorg Med Chem Lett 14:4897-902 (2004) [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:
BDBM50152521
Synonyms:
(1-phenethylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate | CHEMBL184329 | [(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-phenethyl-cyclobutylmethyl ester
Type:
Small organic molecule
Emp. Form.:
C29H38N2O4
Mol. Mass.:
478.623
SMILES:
CCCC[C@H](NC(=O)OCC1(CCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: