Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50169493
Substrate
n/a
Meas. Tech.
ChEMBL_306559 (CHEMBL829134)
IC50
27000±n/a nM
Citation
 Barrett, DG; Boncek, VM; Catalano, JG; Deaton, DN; Hassell, AM; Jurgensen, CH; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Payne, JA; Ray, JA; Samano, V; Shewchuk, LM; Tavares, FX; Wells-Knecht, KJ; Willard, DH; Wright, LL; Zhou, HQ P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett 15:3540-6 (2005) [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:
BDBM50169493
Synonyms:
(S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)butan-2-yl(S)-1-(1H-pyrazol-5-ylamino)-1,2-dioxoheptan-3-ylcarbamate | CHEMBL191584 | [(S)-1-(2H-Pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid (S)-2,2-dimethyl-1-[4-(4-trifluoromethyl-phenyl)-imidazol-1-ylmethyl]-propyl ester
Type:
Small organic molecule
Emp. Form.:
C27H33F3N6O4
Mol. Mass.:
562.5839
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Structure:
Search PDB for entries with ligand similarity: