Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50323082
Substrate
n/a
Meas. Tech.
ChEMBL_643703 (CHEMBL1212567)
IC50
>10000±n/a nM
Citation
 Cai, J; Bennett, DJ; Rankovic, Z; Dempster, M; Fradera, X; Gillespie, J; Cumming, I; Finlay, W; Baugh, M; Boucharens, S; Bruin, J; Cameron, KS; Hamilton, W; Kerr, J; Kinghorn, E; McGarry, G; Robinson, J; Scullion, P; Uitdehaag, JC; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, E 2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors. Bioorg Med Chem Lett 20:4447-50 (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:
BDBM50323082
Synonyms:
4-(3,5-bis(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile | CHEMBL1209375
Type:
Small organic molecule
Emp. Form.:
C16H11F6N3
Mol. Mass.:
359.2691
SMILES:
CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Structure:
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