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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cathepsin K | ||
| Ligand | BDBM138502 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibition Assay | ||
| pH | 3.5±n/a | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 10800±n/a nM | ||
| Comments | extracted | ||
| Citation |  Anderskewitz, R; Grauert, M; Grundl, M; Oost, T; Pautsch, A; Peters, S Substituted 2-aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C US Patent US8877775 Publication Date 11/4/2014 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cathepsin K | |||
| Name: | Cathepsin K | ||
| Synonyms: | CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 36975.68 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P43235 | ||
| Residue: | 329 | ||
| Sequence: |
| ||
| BDBM138502 | |||
| n/a | |||
| Name | BDBM138502 | ||
| Synonyms: | US8877775, 13 | US9073869, 13 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H26N4O3S | ||
| Mol. Mass. | 438.543 | ||
| SMILES | NS(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:19.19,wD:15.16,(8.11,-3,;7.34,-4.34,;8.67,-5.11,;6.57,-5.67,;6,-3.57,;4.67,-4.34,;3.33,-3.57,;3.33,-2.03,;4.67,-1.26,;6,-2.03,;2,-1.26,;.67,-2.03,;-.67,-1.26,;-.67,.28,;-2,1.05,;-2,2.59,;-3.33,3.36,;-4.67,2.59,;-4.67,1.05,;-6,3.36,;-7.34,2.59,;-8.67,3.36,;-8.67,4.9,;-7.34,5.67,;-6,4.9,;-6.77,3.57,;-7.9,4.7,;-.67,3.36,;.67,4.13,;.67,1.05,;2,.28,)| | ||
| Structure | 
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