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Target
Cathepsin S
Ligand
BDBM50314162
Substrate
n/a
Meas. Tech.
ChEMBL_624072 (CHEMBL1103403)
IC50
800±n/a nM
Citation
 Lee-Dutra, A; Wiener, DK; Arienti, KL; Liu, J; Mani, N; Ameriks, MK; Axe, FU; Gebauer, D; Desai, PJ; Nguyen, S; Randal, M; Thurmond, RL; Sun, S; Karlsson, L; Edwards, JP; Jones, TK; Grice, 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:
BDBM50314162
Synonyms:
1-(1-(3-(3-(3-(2-(methylamino)ethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one | CHEMBL1093950
Type:
Small organic molecule
Emp. Form.:
C29H41F3N6O3S2
Mol. Mass.:
642.799
SMILES:
CNCCSc1cc(ccc1C(F)(F)F)-c1nn(CCCN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O
Structure:
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