Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50169087
Substrate
n/a
Meas. Tech.
ChEMBL_1577852 (CHEMBL3808086)
Ki
30345±n/a nM
Citation
 Wilson, DL; Meininger, I; Strater, Z; Steiner, S; Tomlin, F; Wu, J; Jamali, H; Krappmann, D; Götz, MG Synthesis and Evaluation of Macrocyclic Peptide Aldehydes as Potent and Selective Inhibitors of the 20S Proteasome. ACS Med Chem Lett 7:250-5 (2016) [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:
BDBM50169087
Synonyms:
CHEMBL3805992
Type:
Small organic molecule
Emp. Form.:
C42H45N5O10
Mol. Mass.:
779.8342
SMILES:
COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(c(Oc4ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C=O)cc4)c3)[N+]([O-])=O)NC(=O)OCc2ccccc2)cc1 |r|
Structure:
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