Target
Cathepsin S
Ligand
BDBM50314153
Substrate
n/a
Meas. Tech.
ChEMBL_624072 (CHEMBL1103403)
IC50
3600±n/a nM
Citation
 Lee-Dutra, AWiener, DKArienti, KLLiu, JMani, NAmeriks, MKAxe, FUGebauer, DDesai, PJNguyen, SRandal, MThurmond, RLSun, SKarlsson, LEdwards, JPJones, TKGrice, CA Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors: part 1. Bioorg Med Chem Lett 20:2370-4 (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:
BDBM50314153
Synonyms:
4-(3-(3-(4-chloro-3-(propylthio)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)morpholine | CHEMBL1091461
Type:
Small organic molecule
Emp. Form.:
C23H33ClN4O3S2
Mol. Mass.:
513.116
SMILES:
CCCSc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Structure:
Search PDB for entries with ligand similarity: