| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin D |
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| Ligand | BDBM50080960 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_45153 |
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| IC50 | 0.700000±n/a nM |
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| Citation |  Dumas, J; Brittelli, D; Chen, J; Dixon, B; Hatoum-Mokdad, H; König, G; Sibley, R; Witowsky, J; Wong, S Synthesis and structure activity relationships of novel small molecule cathepsin D inhibitors. Bioorg Med Chem Lett9:2531-6 (1999) [PubMed] |
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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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| BDBM50080960 |
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| n/a |
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| Name | BDBM50080960 |
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| Synonyms: | 2-Bromo-N-[(1S,2S)-3-{[2-(2,4-dichloro-phenyl)-ethyl]-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-amino}-2-hydroxy-1-(3-phenoxy-benzyl)-propyl]-4,5-dimethoxy-benzamide | 2-Bromo-N-[(1S,3S)-3-{[2-(2,4-dichloro-phenyl)-ethyl]-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-amino}-2-hydroxy-1-(3-phenoxy-benzyl)-propyl]-4,5-dimethoxy-benzamide | CHEMBL81927 |
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| Type | Small organic molecule |
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| Emp. Form. | C44H40BrCl2N3O8 |
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| Mol. Mass. | 889.614 |
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| SMILES | COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O |
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| Structure | 
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