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Target
Cathepsin S
Ligand
BDBM50299206
Substrate
n/a
Meas. Tech.
ChEMBL_592355 (CHEMBL1048481)
IC50
10±n/a nM
Citation
 Ameriks, MK; Cai, H; Edwards, JP; Gebauer, D; Gleason, E; Gu, Y; Karlsson, L; Nguyen, S; Sun, S; Thurmond, RL; Zhu, J Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency. Bioorg Med Chem Lett 19:6135-9 (2009) [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:
BDBM50299206
Synonyms:
(S)-1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-(1'-methyl-4,4'-bipiperidin-1-yl)propan-2-ol | CHEMBL583741
Type:
Small organic molecule
Emp. Form.:
C35H43Cl2N5O3S
Mol. Mass.:
684.719
SMILES:
CN1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r|
Structure:
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