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Target
Cathepsin S
Ligand
BDBM50314210
Substrate
n/a
Meas. Tech.
ChEMBL_624075 (CHEMBL1103406)
IC50
320±n/a nM
Citation
 Wiener, JJ; Wickboldt, AT; Wiener, DK; Lee-Dutra, A; Edwards, JP; Karlsson, L; Nguyen, S; Sun, S; Jones, TK; Grice, CA Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors. Part 2: Modification of P3, P4, and P5 regions. Bioorg Med Chem Lett 20:2375-8 (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:
BDBM50314210
Synonyms:
(S)-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-1-(2-hydroxy-3-(piperidin-1-yl)propyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1H-1,2,4-triazol-3-yl)methanone | CHEMBL1089613
Type:
Small organic molecule
Emp. Form.:
C31H40F4N8O2S
Mol. Mass.:
664.76
SMILES:
O[C@@H](CN1CCCCC1)Cn1nc(c2CN(CCc12)C(=O)c1nnc[nH]1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F |r|
Structure:
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