Reaction Details 
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Cathepsin S
Ligand
BDBM50323244
Substrate
n/a
Meas. Tech.
ChEMBL_643894 (CHEMBL1211793)
IC50
2.6±n/a nM
Citation
Cai, J; Baugh, M; Black, D; Long, C; Jonathan Bennett, D; Dempster, M; Fradera, X; Gillespie, J; Andrews, F; Boucharens, S; Bruin, J; Cameron, KS; Cumming, I; Hamilton, W; Jones, PS; Kaptein, A; Kinghorn, E; Maidment, M; Martin, I; Mitchell, A; Rankovic, Z; Robinson, J; Scullion, P; Uitdehaag, JC; Vink, P; Westwood, P; van Zeeland, M; van Berkom, L; Bastiani, M; Meulemans, T 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors. Bioorg Med Chem Lett 20:4350-4 (2010) [PubMed] ArticleMore Info.:
Target
Name:
Cathepsin S
Synonyms:
CATS_MOUSE | Cats | Ctss
Type:
Enzyme
Mol. Mass.:
38476.67
Organism:
Mus musculus (Mouse)
Description:
O70370
Residue:
340
Sequence:
MRAPGHAAIRWLFWMPLVCSVAMEQLQRDPTLDYHWDLWKKTHEKEYKDKNEEEVRRLIWEKNLKFIMIHNLEYSMGMHTYQVGMNDMGDMTNEEILCRMGALRIPRQSPKTVTFRSYSNRTLPDTVDWREKGCVTEVKYQGSCGACWAFSAVGALEGQLKLKTGKLISLSAQNLVDCSNEEKYGNKGCGGGYMTEAFQYIIDNGGIEADASYPYKATDEKCHYNSKNRAATCSRYIQLPFGDEDALKEAVATKGPVSVGIDASHSSFFFYKSGVYDDPSCTGNVNHGVLVVGYGTLDGKDYWLVKNSWGLNFGDQGYIRMARNNKNHCGIASYCSYPEI
Inhibitor
Name:
BDBM50323244
Synonyms:
6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile | CHEMBL1209145
Type:
Small organic molecule
Emp. Form.:
C24H27F3N6O
Mol. Mass.:
472.506
SMILES:
CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1
Structure:
