| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50314258 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_624117 (CHEMBL1103448) |
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| IC50 | 120±n/a nM |
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| Citation |  Wiener, DK; Lee-Dutra, A; Bembenek, S; Nguyen, S; Thurmond, RL; Sun, S; Karlsson, L; Grice, CA; Jones, TK; Edwards, JP Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors. Bioorg Med Chem Lett20:2379-82 (2010) [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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| BDBM50314258 |
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| n/a |
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| Name | BDBM50314258 |
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| Synonyms: | 1-(1-(3-(3-(3-(2-(4-(hydroxymethyl)piperidin-1-yl)-2-oxoethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one | CHEMBL1091333 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H47F3N6O5S2 |
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| Mol. Mass. | 740.899 |
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| SMILES | CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCC(=O)N2CCC(CO)CC2)c1)C(F)(F)F |
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| Structure | 
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