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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cathepsin K | ||
| Ligand | BDBM138493 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibition Assay | ||
| pH | 3.5±n/a | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 4200±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: |
| ||
| BDBM138493 | |||
| n/a | |||
| Name | BDBM138493 | ||
| Synonyms: | US8877775, 2 | US9073869, 2 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H26N4O2 | ||
| Mol. Mass. | 414.4995 | ||
| SMILES | O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2CC(=O)Nc2c1)C#N)[C@H]1NC2CCC1CC2 |r,wU:23.25,wD:3.2,(-3.98,1.89,;-3.98,3.43,;-2.64,4.2,;-1.31,3.43,;-1.31,1.89,;.02,1.12,;.02,-.42,;1.36,-1.19,;2.69,-.42,;2.69,1.12,;1.36,1.89,;4.02,-1.19,;5.36,-.42,;6.69,-1.19,;6.69,-2.73,;7.84,-3.76,;7.21,-5.17,;7.98,-6.51,;5.68,-5.01,;5.36,-3.5,;4.02,-2.73,;.02,4.2,;1.36,4.97,;-5.31,4.2,;-6.65,3.43,;-7.98,4.2,;-7.98,5.74,;-6.65,6.51,;-5.31,5.74,;-6.08,4.4,;-7.21,5.53,)| | ||
| Structure | 
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