| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50182090 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_347359 (CHEMBL865648) |
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| IC50 | 826±n/a nM |
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| Citation |  Grice, CA; Tays, K; Khatuya, H; Gustin, DJ; Butler, CR; Wei, J; Sehon, CA; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors. Bioorg Med Chem Lett16:2209-12 (2006) [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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| BDBM50182090 |
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| n/a |
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| Name | BDBM50182090 |
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| Synonyms: | CHEMBL382419 | tert-butyl 1-(2-hydroxy-3-(4-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)piperidin-1-yl)propyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C34H40F3N5O5 |
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| Mol. Mass. | 655.7071 |
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| SMILES | CC(C)(C)OC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2ccccc12)-c1ccc(cc1)C(F)(F)F |
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| Structure | 
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