| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin D |
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| Ligand | BDBM50080991 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1458601 (CHEMBL3371144) |
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| IC50 | 210±n/a nM |
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| Citation |  Grädler, U; Czodrowski, P; Tsaklakidis, C; Klein, M; Werkmann, D; Lindemann, S; Maskos, K; Leuthner, B Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg Med Chem Lett24:4141-50 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cathepsin D |
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| Name: | Cathepsin D |
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| Synonyms: | CATD_HUMAN | CPSD | CTSD | Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor |
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| Type: | Enzyme |
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| Mol. Mass.: | 44551.72 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated. |
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| Residue: | 412 |
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| Sequence: | MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVP
AVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIH
HKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFG
EATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQ
PGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSL
MVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQ
AGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
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| BDBM50080991 |
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| n/a |
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| Name | BDBM50080991 |
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| Synonyms: | 5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one | CHEMBL68595 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H23NO4S2 |
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| Mol. Mass. | 489.606 |
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| SMILES | CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1 |w:16.16,c:21| |
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| Structure | 
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