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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cathepsin S | ||
| Ligand | BDBM50401763 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_885155 (CHEMBL2213246) | ||
| IC50 | 0.1±n/a nM | ||
| Citation |  Moss, N; Xiong, Z; Burke, M; Cogan, D; Gao, DA; Haverty, K; Heim-Riether, A; Hickey, ER; Nagaraja, R; Netherton, M; O'Shea, K; Ramsden, P; Schwartz, R; Shih, DT; Ward, Y; Young, E; Zhang, Q Exploration of cathepsin S inhibitors characterized by a triazole P1-P2 amide replacement. Bioorg Med Chem Lett22:7189-93 (2012) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cathepsin S | |||
| 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: |
| ||
| BDBM50401763 | |||
| n/a | |||
| Name | BDBM50401763 | ||
| Synonyms: | CHEMBL2207565 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H23N5OS | ||
| Mol. Mass. | 357.473 | ||
| SMILES | C[C@H]1CC[C@@H](CC1)[C@](C)(NC(=O)c1ccsc1)c1cn(CC#N)nn1 |r,wU:7.8,1.0,wD:7.9,4.3,(16.15,-25.06,;15.39,-23.72,;13.86,-23.7,;13.11,-22.38,;13.88,-21.06,;15.41,-21.07,;16.16,-22.4,;13.13,-19.74,;12.34,-21.06,;11.79,-18.97,;10.45,-19.74,;10.45,-21.28,;9.23,-18.8,;7.75,-19.25,;6.87,-17.98,;7.81,-16.75,;9.27,-17.26,;14.34,-18.78,;15.81,-19.19,;16.67,-17.91,;18.21,-17.84,;19.04,-19.14,;19.87,-20.43,;15.7,-16.7,;14.26,-17.25,)| | ||
| Structure | 
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