Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50135548
Substrate
n/a
Meas. Tech.
ChEBML_47612
IC50
17±n/a nM
Citation
Greenspan, PD; Clark, KL; Cowen, SD; McQuire, LW; Tommasi, RA; Farley, DL; Quadros, E; Coppa, DE; Du, Z; Fang, Z; Zhou, H; Doughty, J; Toscano, KT; Wigg, AM; Zhou, S N-arylaminonitriles as bioavailable peptidomimetic inhibitors of cathepsin B. Bioorg Med Chem Lett 13:4121-4 (2003) [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:
BDBM50135548
Synonyms:
(S)-N-[(R)-Cyano-(3-tetrazol-1-yl-benzyloxymethyl)-methyl]-2-phenylamino-3-m-tolyl-propionamide | CHEMBL334631
Type:
Small organic molecule
Emp. Form.:
C27H27N7O2
Mol. Mass.:
481.549
SMILES:
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1