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Target
Cathepsin S
Ligand
BDBM50314236
Substrate
n/a
Meas. Tech.
ChEMBL_624117 (CHEMBL1103448)
IC50
40±n/a nM
Citation
 Wiener, DK; Lee-Dutra, A; Bembenek, S; Nguyen, S; Thurmond, RL; Sun, S; Karlsson, L; Grice, CA; Jones, TK; Edwards, JP Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors. Bioorg Med Chem Lett 20:2379-82 (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:
BDBM50314236
Synonyms:
CHEMBL1090996 | rac-2-(5-(5-(methylsulfonyl)-1-(3-(4-(pyrrolidine-1-carbonyl)piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)-1-(pyrrolidin-1-yl)ethanone
Type:
Small organic molecule
Emp. Form.:
C33H45F3N6O4S2
Mol. Mass.:
710.873
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)C(=O)N1CCCC1)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F
Structure:
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