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Target
Cathepsin S
Ligand
BDBM50162828
Substrate
n/a
Meas. Tech.
ChEBML_305074
IC50
50±n/a nM
Citation
 Gustin, DJ; Sehon, CA; Wei, J; Cai, H; Meduna, SP; Khatuya, H; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors. Bioorg Med Chem Lett 15:1687-91 (2005) [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:
BDBM50162828
Synonyms:
1-(1-(3-(3-(3,4-dichlorophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-3-methyl-1H-benzo[d]imidazol-2(3H)-one | 1-(1-{3-[3-(3,4-Dichloro-phenyl)-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-3-methyl-1,3-dihydro-benzoimidazol-2-one | CHEMBL180108
Type:
Small organic molecule
Emp. Form.:
C29H34Cl2N6O3S
Mol. Mass.:
617.59
SMILES:
Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Cl)c(Cl)c3)CC2)c1=O
Structure:
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