| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50336041 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_717666 (CHEMBL1670797) |
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| IC50 | 7.9±n/a nM |
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| Citation |  Arbuckle, W; Baugh, M; Belshaw, S; Bennett, DJ; Bruin, J; Cai, J; Cameron, KS; Claxton, C; Dempster, M; Everett, K; Fradera, X; Hamilton, W; Jones, PS; Kinghorn, E; Long, C; Martin, I; Robinson, J; Westwood, P 1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors: separation of desired cellular activity from undesired tissue accumulation through optimization of basic nitrogen pka. Bioorg Med Chem Lett21:932-5 (2011) [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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| BDBM50336041 |
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| n/a |
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| Name | BDBM50336041 |
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| Synonyms: | 1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile | CHEMBL1669278 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H25F3N6O2 |
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| Mol. Mass. | 510.5109 |
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| SMILES | Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N |
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| Structure | 
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