Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50417997
Substrate
n/a
Meas. Tech.
ChEMBL_719164 (CHEMBL1679623)
IC50
3981.07±n/a nM
Citation
 Lainé, D; Palovich, M; McCleland, B; Petitjean, E; Delhom, I; Xie, H; Deng, J; Lin, G; Davis, R; Jolit, A; Nevins, N; Zhao, B; Villa, J; Schneck, J; McDevitt, P; Midgett, R; Kmett, C; Umbrecht, S; Peck, B; Davis, AB; Bettoun, D Discovery of novel cyanamide-based inhibitors of cathepsin C. ACS Med Chem Lett 2:142-147 (2011) [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:
BDBM50417997
Synonyms:
CHEMBL1672423
Type:
Small organic molecule
Emp. Form.:
C12H12FN3O
Mol. Mass.:
233.2416
SMILES:
Fc1ccc(cc1)C(=O)N[C@@H]1CCN(C1)C#N |r|
Structure:
Search PDB for entries with ligand similarity: