Reaction Details 
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Cathepsin B
Ligand
BDBM50061510
Substrate
n/a
Meas. Tech.
ChEMBL_47404 (CHEMBL885063)
IC50
19000±n/a nM
Citation
Ogilvie, W; Bailey, M; Poupart, MA; Abraham, A; Bhavsar, A; Bonneau, P; Bordeleau, J; Bousquet, Y; Chabot, C; Duceppe, JS; Fazal, G; Goulet, S; Grand-Maître, C; Guse, I; Halmos, T; Lavallée, P; Leach, M; Malenfant, E; O'Meara, J; Plante, R; Plouffe, C; Poirier, M; Soucy, F; Yoakim, C; Déziel, R Peptidomimetic inhibitors of the human cytomegalovirus protease. J Med Chem 40:4113-35 (1998) [PubMed] ArticleMore 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:
BDBM50061510
Synonyms:
(S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl)-2-[(S)-2-(3,3-dimethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-N*4*,N*4*-dimethyl-succinamide | (S)-N1-(1-(benzo[d]thiazol-2-yl)-1-oxopropan-2-yl)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethylsuccinamide | CHEMBL133803
Type:
Small organic molecule
Emp. Form.:
C28H41N5O5S
Mol. Mass.:
559.721
SMILES:
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
Structure:
