Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50030745
Substrate
n/a
Meas. Tech.
ChEMBL_1437725 (CHEMBL3382372)
Ki
0.406000±n/a nM
Citation
 Schmitz, J; Beckmann, AM; Dudic, A; Li, T; Sellier, R; Bartz, U; Gütschow, M 3-Cyano-3-aza-ß-amino Acid Derivatives as Inhibitors of Human Cysteine Cathepsins. ACS Med Chem Lett 5:1076-81 (2014) [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:
BDBM50030745
Synonyms:
CHEMBL3342185 | acs.jmedchem.1c00409_ST.412
Type:
Small organic molecule
Emp. Form.:
C22H26N4O3
Mol. Mass.:
394.4668
SMILES:
CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N
Structure:
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