Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50263556 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_535680 (CHEMBL988834) |
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IC50 | 26±n/a nM |
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Citation | Irie, O; Kosaka, T; Kishida, M; Sakaki, J; Masuya, K; Konishi, K; Yokokawa, F; Ehara, T; Iwasaki, A; Iwaki, Y; Hitomi, Y; Toyao, A; Gunji, H; Teno, N; Iwasaki, G; Hirao, H; Kanazawa, T; Tanabe, K; Hiestand, PC; Malcangio, M; Fox, AJ; Bevan, SJ; Yaqoob, M; Culshaw, AJ; Hart, TW; Hallett, A Overcoming hERG issues for brain-penetrating cathepsin S inhibitors: 2-cyanopyrimidines. Part 2. Bioorg Med Chem Lett18:5280-4 (2008) [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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BDBM50263556 |
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n/a |
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Name | BDBM50263556 |
Synonyms: | 2-cyano-4-(2-cyclopentylethylamino)-N-methyl-6-((1-methylpiperidin-4-yl)methoxy)pyrimidine-5-carboxamide | CHEMBL478012 |
Type | Small organic molecule |
Emp. Form. | C21H32N6O2 |
Mol. Mass. | 400.5178 |
SMILES | CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N |
Structure |
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