Reaction Details | |||
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Target | Cathepsin S | ||
Ligand | BDBM50208837 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_443352 (CHEMBL893600) | ||
Kd | 13.8±n/a nM | ||
Citation | Bekkali, Y; Thomson, DS; Betageri, R; Emmanuel, MJ; Hao, MH; Hickey, E; Liu, W; Patel, U; Ward, YD; Young, ER; Nelson, R; Kukulka, A; Brown, ML; Crane, K; White, D; Freeman, DM; Labadia, ME; Wildeson, J; Spero, DM Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors. Bioorg Med Chem Lett17:2465-9 (2007) [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: |
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BDBM50208837 | |||
n/a | |||
Name | BDBM50208837 | ||
Synonyms: | (R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-((4-methylcyclohexyl)methyl)-4-morpholino-4-oxobutanamide | CHEMBL234696 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H44N4O3 | ||
Mol. Mass. | 472.6633 | ||
SMILES | CC1CCC(C[C@H](CC(=O)N2CCOCC2)C(=O)N[C@@]2(CCN(C2)C2CCCCC2)C#N)CC1 |wU:6.6,19.19,wD:19.32,(26.54,4.09,;25.2,3.32,;25.21,1.77,;23.88,1,;22.55,1.77,;21.23,.99,;21.24,-.56,;19.9,-1.32,;18.57,-.55,;18.57,.99,;17.23,-1.31,;15.9,-.54,;14.58,-1.31,;14.58,-2.85,;15.9,-3.62,;17.23,-2.85,;22.57,-1.32,;22.58,-2.86,;23.9,-.55,;25.24,-1.32,;24.77,-2.78,;26.01,-3.69,;27.26,-2.78,;26.78,-1.32,;28.72,-3.26,;29.03,-4.76,;30.49,-5.24,;31.64,-4.21,;31.32,-2.7,;29.85,-2.22,;25.98,.04,;26.71,1.4,;22.53,3.3,;23.87,4.08,)| | ||
Structure |