| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50397142 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_864177 (CHEMBL2175126) |
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| IC50 | 1450±n/a nM |
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| Citation |  Crawford, JJ; Kenny, PW; Bowyer, J; Cook, CR; Finlayson, JE; Heyes, C; Highton, AJ; Hudson, JA; Jestel, A; Krapp, S; Martin, S; Macfaul, PA; McDermott, BP; McGuire, TM; Morley, AD; Morris, JJ; Page, KM; Ribeiro, LR; Sawney, H; Steinbacher, S; Smith, C; Dossetter, AG Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors. J Med Chem55:8827-37 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cathepsin S |
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| Name: | Cathepsin S |
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| Synonyms: | CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein |
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| Type: | Protein |
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| Mol. Mass.: | 37507.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P25774 |
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| Residue: | 331 |
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| Sequence: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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| BDBM50397142 |
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| n/a |
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| Name | BDBM50397142 |
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| Synonyms: | CHEMBL2172005 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H34N4O4 |
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| Mol. Mass. | 454.5619 |
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| SMILES | COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| |
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| Structure | 
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