Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50314180 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_624072 (CHEMBL1103403) |
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IC50 | 530±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 |
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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BDBM50314180 |
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n/a |
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Name | BDBM50314180 |
Synonyms: | CHEMBL1076796 | rac-4-(dimethylamino)-N-(2-(5-(1-(2-hydroxy-3-(4-(2-oxopyrrolidin-1-yl)piperidin-1-yl)propyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)ethyl)benzamide |
Type | Small organic molecule |
Emp. Form. | C37H48F3N7O5S2 |
Mol. Mass. | 791.946 |
SMILES | CN(C)c1ccc(cc1)C(=O)NCCSc1cc(ccc1C(F)(F)F)-c1nn(CC(O)CN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O |
Structure |
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