Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50510758
Substrate
n/a
Meas. Tech.
ChEMBL_1842106 (CHEMBL4342533)
IC50
12±n/a nM
Citation
 Schmitz, J; Gilberg, E; Löser, R; Bajorath, J; Bartz, U; Gütschow, M Cathepsin B: Active site mapping with peptidic substrates and inhibitors. Bioorg Med Chem 27:1-15 (2019) [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:
BDBM50510758
Synonyms:
CHEMBL4582255
Type:
Small organic molecule
Emp. Form.:
C27H27N3O2
Mol. Mass.:
425.5222
SMILES:
Cc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)cc1C |r|
Structure:
Search PDB for entries with ligand similarity: