Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50107647
Substrate
n/a
Meas. Tech.
ChEMBL_47411 (CHEMBL657288)
IC50
16.9±n/a nM
Citation
 Greenspan, PD; Clark, KL; Tommasi, RA; Cowen, SD; McQuire, LW; Farley, DL; van Duzer, JH; Goldberg, RL; Zhou, H; Du, Z; Fitt, JJ; Coppa, DE; Fang, Z; Macchia, W; Zhu, L; Capparelli, MP; Goldstein, R; Wigg, AM; Doughty, JR; Bohacek, RS; Knap, AK Identification of dipeptidyl nitriles as potent and selective inhibitors of cathepsin B through structure-based drug design. J Med Chem 44:4524-34 (2001) [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:
BDBM50107647
Synonyms:
CHEMBL140506 | N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-m-tolyl-ethyl}-4-chloro-2-fluoro-benzamide
Type:
Small organic molecule
Emp. Form.:
C27H25ClFN3O3
Mol. Mass.:
493.957
SMILES:
Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Structure:
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