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Target
Cathepsin B
Ligand
BDBM50169492
Substrate
n/a
Meas. Tech.
ChEMBL_306559 (CHEMBL829134)
IC50
32000±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:
BDBM50169492
Synonyms:
(R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)butan-2-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate | CHEMBL363773 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (R)-2,2-dimethyl-1-[5-(4-trifluoromethyl-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-propyl ester
Type:
Small organic molecule
Emp. Form.:
C31H37F3N4O5
Mol. Mass.:
602.6445
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Structure:
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