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Target
Cathepsin S
Ligand
BDBM50233032
Substrate
n/a
Meas. Tech.
ChEMBL_462248 (CHEMBL945082)
IC50
17±n/a nM
Citation
 Gauthier, JY; Chauret, N; Cromlish, W; Desmarais, S; Duong, le T; Falgueyret, JP; Kimmel, DB; Lamontagne, S; Léger, S; LeRiche, T; Li, CS; Massé, F; McKay, DJ; Nicoll-Griffith, DA; Oballa, RM; Palmer, JT; Percival, MD; Riendeau, D; Robichaud, J; Rodan, GA; Rodan, SB; Seto, C; Thérien, M; Truong, VL; Venuti, MC; Wesolowski, G; Young, RN; Zamboni, R; Black, WC The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K. Bioorg Med Chem Lett 18:923-8 (2008) [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:
BDBM50233032
Synonyms:
(S)-4,4-difluoro-2-[(S)-2,2,2-trifluoro-1-(4'-methanesulfonyl-biphenyl-4-yl)-ethylamino]-pentanoic acid (cyano-dicyclopropyl-methyl)-amide | CHEMBL399733
Type:
Small organic molecule
Emp. Form.:
C28H30F5N3O3S
Mol. Mass.:
583.613
SMILES:
CC(F)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1
Structure:
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