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Target
Cathepsin S
Ligand
BDBM50336041
Substrate
n/a
Meas. Tech.
ChEMBL_717694 (CHEMBL1670825)
IC50
39±n/a nM
Citation
 Arbuckle, W; Baugh, M; Belshaw, S; Bennett, DJ; Bruin, J; Cai, J; Cameron, KS; Claxton, C; Dempster, M; Everett, K; Fradera, X; Hamilton, W; Jones, PS; Kinghorn, E; Long, C; Martin, I; Robinson, J; Westwood, 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 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:
BDBM50336041
Synonyms:
1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile | CHEMBL1669278
Type:
Small organic molecule
Emp. Form.:
C26H25F3N6O2
Mol. Mass.:
510.5109
SMILES:
Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N
Structure:
Search PDB for entries with ligand similarity: