| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50331556 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_687416 (CHEMBL1292092) |
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| IC50 | 1±n/a nM |
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| Citation |  Cai, J; Robinson, J; Belshaw, S; Everett, K; Fradera, X; van Zeeland, M; van Berkom, L; van Rijnsbergen, P; Popplestone, L; Baugh, M; Dempster, M; Bruin, J; Hamilton, W; Kinghorn, E; Westwood, P; Kerr, J; Rankovic, Z; Arbuckle, W; Bennett, DJ; Jones, PS; Long, C; Martin, I; Uitdehaag, JC; Meulemans, T Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg Med Chem Lett20:6890-4 (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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| BDBM50331556 |
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| n/a |
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| Name | BDBM50331556 |
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| Synonyms: | 2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-dioxobutan-2-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide | CHEMBL1289644 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H19ClF3N5O4 |
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| Mol. Mass. | 509.866 |
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| SMILES | CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 |
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| Structure | 
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