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Target
Cathepsin S
Ligand
BDBM50162851
Substrate
n/a
Meas. Tech.
ChEBML_305074
IC50
100±n/a nM
Citation
 Gustin, DJ; Sehon, CA; Wei, J; Cai, H; Meduna, SP; Khatuya, H; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors. Bioorg Med Chem Lett 15:1687-91 (2005) [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:
BDBM50162851
Synonyms:
CHEMBL361545 | [3-(1-{3-[5-Methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-2-oxo-2,3-dihydro-benzoimidazol-1-yl]-acetonitrile
Type:
Small organic molecule
Emp. Form.:
C31H34F3N7O3S
Mol. Mass.:
641.707
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2n(CC#N)c1=O)-c1ccc(cc1)C(F)(F)F
Structure:
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