Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50121544 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_48672 (CHEMBL658343) |
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IC50 | 9±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 |
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: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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BDBM50121544 |
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n/a |
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Name | BDBM50121544 |
Synonyms: | CHEMBL153248 | Pyrazine-2-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide |
Type | Small organic molecule |
Emp. Form. | C24H29N5O3 |
Mol. Mass. | 435.5188 |
SMILES | O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1cnccn1 |
Structure |
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