| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50314155 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_624072 (CHEMBL1103403) |
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| IC50 | 740±n/a nM |
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| Citation |  Lee-Dutra, A; Wiener, DK; Arienti, KL; Liu, J; Mani, N; Ameriks, MK; Axe, FU; Gebauer, D; Desai, PJ; Nguyen, S; Randal, M; Thurmond, RL; Sun, S; Karlsson, L; Edwards, JP; Jones, TK; Grice, CA Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors: part 1. Bioorg Med Chem Lett20:2370-4 (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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| BDBM50314155 |
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| n/a |
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| Name | BDBM50314155 |
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| Synonyms: | 4-(3-(5-(methylsulfonyl)-3-(3-(2-phenoxyethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)morpholine | CHEMBL1093945 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H35F3N4O4S2 |
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| Mol. Mass. | 624.738 |
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| SMILES | CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(c(SCCOc2ccccc2)c1)C(F)(F)F |
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| Structure | 
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