Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50152992 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_305074 |
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IC50 | 20±n/a nM |
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Citation | Gustin, DJ; Sehon, CA; Wei, J; Cai, H; Meduna, SP; Khatuya, H; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors. Bioorg Med Chem Lett15:1687-91 (2005) [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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BDBM50152992 |
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n/a |
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Name | BDBM50152992 |
Synonyms: | 1-[1-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-2-hydroxy-propyl)-3-(4-chloro-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone | CHEMBL180232 |
Type | Small organic molecule |
Emp. Form. | C34H36ClF2N5O2 |
Mol. Mass. | 620.132 |
SMILES | CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)-c1ccc(Cl)cc1 |
Structure |
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