Target
Cathepsin S
Ligand
BDBM50314198
Substrate
n/a
Meas. Tech.
ChEMBL_624074 (CHEMBL1103405)
IC50
1035±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:
BDBM50314198
Synonyms:
(+/-)-1-(4-(2-(5-(1-(2-hydroxy-3-(piperidin-1-yl)propyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)ethyl)piperazin-1-yl)ethanone | CHEMBL1089293
Type:
Small organic molecule
Emp. Form.:
C30H43F3N6O4S2
Mol. Mass.:
672.825
SMILES:
CC(=O)N1CCN(CCSc2cc(ccc2C(F)(F)F)-c2nn(CC(O)CN3CCCCC3)c3CCN(Cc23)S(C)(=O)=O)CC1
Structure:
Search PDB for entries with ligand similarity: