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Target
Cathepsin B
Ligand
BDBM87123
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:
BDBM87123
Synonyms:
3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid | 3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid | 3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid | CHEMBL1907089 | ML298 (4) | VU0462225-1 | cid_53393915
Type:
Small organic molecule
Emp. Form.:
C22H23F3N4O2
Mol. Mass.:
432.4388
SMILES:
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
Structure:
Search PDB for entries with ligand similarity: