Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM19856
Substrate
BDBM19517
Meas. Tech.
Enzyme Inhibition Assay and Whole Cell Enzyme Occupancy Assay
pH
6±n/a
Temperature
295.15±n/a K
IC50
86000±14000 nM
EC50
4400±2000 nM
Citation
Falgueyret, JP; Desmarais, S; Oballa, R; Black, WC; Cromlish, W; Khougaz, K; Lamontagne, S; Massé, F; Riendeau, D; Toulmond, S; Percival, MD Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity. J Med Chem 48:7535-43 (2005) [PubMed] Article
More Info.:
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:
BDBM19856
Synonyms:
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide | CHEMBL184514 | JMC463709 (R)-2 | piperazine-containing compound, 11
Type:
Small organic molecule
Emp. Form.:
C24H30N4O
Mol. Mass.:
390.5212
SMILES:
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1 |r|