| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50121553 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_48672 (CHEMBL658343) |
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| IC50 | >13000±n/a nM |
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| Citation |  Ward, YD; Thomson, DS; Frye, LL; Cywin, CL; Morwick, T; Emmanuel, MJ; Zindell, R; McNeil, D; Bekkali, Y; Girardot, M; Hrapchak, M; DeTuri, M; Crane, K; White, D; Pav, S; Wang, Y; Hao, MH; Grygon, CA; Labadia, ME; Freeman, DM; Davidson, W; Hopkins, JL; Brown, ML; Spero, DM; Giradot, M Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors. J Med Chem45:5471-82 (2002) [PubMed] |
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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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| BDBM50121553 |
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| n/a |
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| Name | BDBM50121553 |
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| Synonyms: | CHEMBL358695 | Morpholine-4-carboxylic acid [1-(1-cyanomethyl-3-phenyl-propylcarbamoyl)-3-methyl-butyl]-amide |
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| Type | Small organic molecule |
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| Emp. Form. | C22H32N4O3 |
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| Mol. Mass. | 400.5145 |
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| SMILES | CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)CC#N |
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| Structure | 
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