Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50233039 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_462248 (CHEMBL945082) |
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IC50 | 266±n/a nM |
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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 Lett18:923-8 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cathepsin S |
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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: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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BDBM50233039 |
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n/a |
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Name | BDBM50233039 |
Synonyms: | (S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanesulfonyl-biphenyl-4-yl)-ethylamino]-pentanoic acid (cyano-dicyclopropyl-methyl)-amide | CHEMBL252383 |
Type | Small organic molecule |
Emp. Form. | C29H34F3N3O3S |
Mol. Mass. | 561.659 |
SMILES | CC(C)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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