Target
Cathepsin B
Ligand
BDBM50323247
Substrate
n/a
Meas. Tech.
ChEMBL_717668 (CHEMBL1670799)
IC50
>10000±n/a nM
Citation
 Arbuckle, WBaugh, MBelshaw, SBennett, DJBruin, JCai, JCameron, KSClaxton, CDempster, MEverett, KFradera, XHamilton, WJones, PSKinghorn, ELong, CMartin, IRobinson, JWestwood, P 1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors: separation of desired cellular activity from undesired tissue accumulation through optimization of basic nitrogen pka. Bioorg Med Chem Lett 21:932-5 (2011) [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:
BDBM50323247
Synonyms:
6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile | CHEMBL1209086 | US9115126, Reference imidazopyridine derivative from WO 2009/010491 - Example 2a
Type:
Small organic molecule
Emp. Form.:
C20H20F3N5O
Mol. Mass.:
403.4009
SMILES:
CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N
Structure:
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