| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM19856 |
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| Substrate/Competitor | BDBM19490 |
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| Meas. Tech. | Enzyme Inhibition Assay and Whole Cell Enzyme Occupancy Assay |
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| pH | 6.5±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 20000±7000 nM |
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| EC50 | 1340±400 nM |
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| Citation |  Falgueyret, JP; Desmarais, S; Oballa, R; Black, WC; Cromlish, W; Khougaz, K; Lamontagne, S; Massé, F; Riendeau, D; Toulmond, S; Percival, MD Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity. J Med Chem48:7535-43 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Cathepsin S |
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| Name: | Cathepsin S |
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| Synonyms: | CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein |
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| Type: | Protein |
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| Mol. Mass.: | 37507.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P25774 |
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| Residue: | 331 |
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| Sequence: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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| BDBM19856 |
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| BDBM19490 |
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| Name | BDBM19856 |
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| Synonyms: | (2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide | CHEMBL184514 | JMC463709 (R)-2 | piperazine-containing compound, 11 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H30N4O |
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| Mol. Mass. | 390.5212 |
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| SMILES | CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1 |r| |
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| Structure | 
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