Target
Cathepsin S
Ligand
BDBM50314175
Substrate
n/a
Meas. Tech.
ChEMBL_624074 (CHEMBL1103405)
IC50
380±n/a nM
Citation
 Wiener, JJWickboldt, ATWiener, DKLee-Dutra, AEdwards, JPKarlsson, LNguyen, SSun, SJones, TKGrice, 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:
BDBM50314175
Synonyms:
5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-1-(3-(piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine | CHEMBL1089273
Type:
Small organic molecule
Emp. Form.:
C29H42F3N5O2S2
Mol. Mass.:
613.801
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: