Reaction Details | |||
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Target | Cathepsin K | ||
Ligand | BDBM50426158 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_935505 (CHEMBL2319564) | ||
IC50 | 21300±n/a nM | ||
Citation | Schröder, J; Klinger, A; Oellien, F; Marhöfer, RJ; Duszenko, M; Selzer, PM Docking-based virtual screening of covalently binding ligands: an orthogonal lead discovery approach. J Med Chem56:1478-90 (2013) [PubMed] Article | ||
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: |
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BDBM50426158 | |||
n/a | |||
Name | BDBM50426158 | ||
Synonyms: | CHEMBL2316612 | ||
Type | Small organic molecule | ||
Emp. Form. | C14H16ClNOS | ||
Mol. Mass. | 281.801 | ||
SMILES | Clc1ccc(SCC2N3CCC(CC3)C2=O)cc1 |(32.66,-50.27,;31.33,-49.5,;29.99,-50.27,;28.66,-49.5,;28.66,-47.96,;27.33,-47.19,;26,-47.96,;24.66,-47.19,;23.34,-47.95,;22.01,-47.19,;22.01,-45.65,;23.34,-44.87,;23.75,-45.88,;22.88,-46.7,;24.66,-45.65,;26,-44.88,;29.99,-47.19,;31.32,-47.95,)| | ||
Structure |