| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50252501 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_487680 (CHEMBL1009448) |
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| IC50 | 320±n/a nM |
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| Citation |  Irie, O; Ehara, T; Iwasaki, A; Yokokawa, F; Sakaki, J; Hirao, H; Kanazawa, T; Teno, N; Horiuchi, M; Umemura, I; Gunji, H; Masuya, K; Hitomi, Y; Iwasaki, G; Nonomura, K; Tanabe, K; Fukaya, H; Kosaka, T; Snell, CR; Hallett, A Discovery of selective and nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett18:3959-62 (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 |
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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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| BDBM50252501 |
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| n/a |
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| Name | BDBM50252501 |
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| Synonyms: | 6-(4-chlorobenzyl)-7-(4,4-dimethylpentyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL492632 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H23ClN4 |
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| Mol. Mass. | 366.887 |
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| SMILES | CC(C)(C)CCCn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N |
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| Structure | 
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