Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50390387
Substrate
n/a
Meas. Tech.
ChEMBL_834958 (CHEMBL2073368)
IC50
5011.87±n/a nM
Citation
 Dossetter, AG; Bowyer, J; Cook, CR; Crawford, JJ; Finlayson, JE; Heron, NM; Heyes, C; Highton, AJ; Hudson, JA; Jestel, A; Krapp, S; MacFaul, PA; McGuire, TM; Morley, AD; Morris, JJ; Page, KM; Ribeiro, LR; Sawney, H; Steinbacher, S; Smith, C Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition. Bioorg Med Chem Lett 22:5563-8 (2012) [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:
BDBM50390387
Synonyms:
CHEMBL2070941
Type:
Small organic molecule
Emp. Form.:
C22H29N5O2S
Mol. Mass.:
427.563
SMILES:
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)C1CC1 |r|
Structure:
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