Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50121286
Substrate
n/a
Meas. Tech.
ChEMBL_47583 (CHEMBL657186)
Ki
560.0±n/a nM
Citation
 Chowdhury, SF; Sivaraman, J; Wang, J; Devanathan, G; Lachance, P; Qi, H; Ménard, R; Lefebvre, J; Konishi, Y; Cygler, M; Sulea, T; Purisima, EO Design of noncovalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides. J Med Chem 45:5321-9 (2002) [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:
BDBM50121286
Synonyms:
2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-propionylamino]-5-guanidino-pentanoic acid [2-(1H-indol-3-yl)-1-phenethylcarbamoyl-ethyl]-amide | CHEMBL150808
Type:
Small organic molecule
Emp. Form.:
C42H48N8O4S
Mol. Mass.:
760.947
SMILES:
NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: