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Target
Cathepsin B
Ligand
BDBM50331557
Substrate
n/a
Meas. Tech.
ChEMBL_687418 (CHEMBL1292094)
IC50
3236±n/a nM
Citation
 Cai, J; Robinson, J; Belshaw, S; Everett, K; Fradera, X; van Zeeland, M; van Berkom, L; van Rijnsbergen, P; Popplestone, L; Baugh, M; Dempster, M; Bruin, J; Hamilton, W; Kinghorn, E; Westwood, P; Kerr, J; Rankovic, Z; Arbuckle, W; Bennett, DJ; Jones, PS; Long, C; Martin, I; Uitdehaag, JC; Meulemans, T Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg Med Chem Lett 20:6890-4 (2010) [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:
BDBM50331557
Synonyms:
2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-dioxopentan-3-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide | CHEMBL1289645
Type:
Small organic molecule
Emp. Form.:
C23H21ClF3N5O4
Mol. Mass.:
523.892
SMILES:
CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
Structure:
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