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Target
Cathepsin S
Ligand
BDBM50323248
Substrate
n/a
Meas. Tech.
ChEMBL_643889 (CHEMBL1211788)
IC50
7.8±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]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50323248
Synonyms:
1-methyl-6-(4-(2-(3-oxopiperazin-1-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile | CHEMBL1209085
Type:
Small organic molecule
Emp. Form.:
C21H19F3N6O2
Mol. Mass.:
444.4098
SMILES:
Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCNC(=O)C2)c(c1)C(F)(F)F)C#N
Structure:
Search PDB for entries with ligand similarity: