Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50388831
Substrate
n/a
Meas. Tech.
ChEMBL_831048 (CHEMBL2065749)
IC50
>10000±n/a nM
Citation
 Song, J; Jones, LM; Kumar, GD; Conner, ES; Bayeh, L; Chavarria, GE; Charlton-Sevcik, AK; Chen, SE; Chaplin, DJ; Trawick, ML; Pinney, KG Synthesis and biochemical evaluation of thiochromanone thiosemicarbazone analogues as inhibitors of cathepsin L. ACS Med Chem Lett 3:450-453 (2012) [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:
BDBM50388831
Synonyms:
CHEMBL2062922
Type:
Small organic molecule
Emp. Form.:
C11H13N3O3S2
Mol. Mass.:
299.369
SMILES:
COc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:14.16|
Structure:
Search PDB for entries with ligand similarity: