Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50137790
Substrate
n/a
Meas. Tech.
ChEMBL_334149 (CHEMBL868300)
IC50
32000±n/a nM
Citation
Adkison, KK; Barrett, DG; Deaton, DN; Gampe, RT; Hassell, AM; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Payne, JA; Shewchuk, LM; Wells-Knecht, KJ; Willard, DH; Wright, LL Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg Med Chem Lett 16:978-83 (2006) [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:
BDBM50137790
Synonyms:
((S)-1-Formyl-pentyl)-carbamic acid tert-butyl ester | (S)-tert-butyl 1-oxohexan-2-ylcarbamate | CHEMBL96875 | [(S)-1-(4-Bromo-1H-pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester
Type:
Small organic molecule
Emp. Form.:
C11H21NO3
Mol. Mass.:
215.2893
SMILES:
CCCC[C@H](NC(=O)OC(C)(C)C)C=O