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Target
Cathepsin S
Ligand
BDBM50162829
Substrate
n/a
Meas. Tech.
ChEBML_305074
IC50
110±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:
BDBM50162829
Synonyms:
1-(1-{3-[5-Acetyl-3-(4-bromo-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperidin-4-yl)-5,6-dichloro-1,3-dihydro-benzoimidazol-2-one | CHEMBL262666
Type:
Small organic molecule
Emp. Form.:
C29H31BrCl2N6O3
Mol. Mass.:
662.405
SMILES:
CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2cc(Cl)c(Cl)cc2[nH]c1=O)-c1ccc(Br)cc1
Structure:
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