Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Cathepsin S | ||
Ligand | BDBM50401766 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_885155 (CHEMBL2213246) | ||
IC50 | 0.3±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: |
| ||
BDBM50401766 | |||
n/a | |||
Name | BDBM50401766 | ||
Synonyms: | CHEMBL2207562 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H31N5OS | ||
Mol. Mass. | 413.579 | ||
SMILES | CCCC[C@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)[C@H]1CC[C@H](C)CC1 |r,wU:12.13,25.27,wD:12.14,22.24,4.6,(20.99,-15.82,;19.45,-15.89,;18.74,-17.26,;17.2,-17.33,;16.49,-18.7,;17.32,-20,;18.15,-21.29,;14.95,-18.77,;14.09,-20.05,;12.62,-19.64,;12.54,-18.1,;13.98,-17.56,;11.41,-20.6,;10.62,-21.92,;10.07,-19.83,;8.74,-20.6,;8.74,-22.14,;7.51,-19.66,;6.04,-20.11,;5.16,-18.84,;6.09,-17.61,;7.55,-18.12,;12.17,-21.92,;11.39,-23.24,;12.14,-24.56,;13.67,-24.57,;14.43,-25.92,;14.44,-23.26,;13.69,-21.93,)| | ||
Structure |