| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin D |
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| Ligand | BDBM50307359 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_610638 (CHEMBL1069652) |
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| Ki | 62±n/a nM |
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| Citation |  Björklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core. Bioorg Med Chem18:1711-23 (2010) [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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| BDBM50307359 |
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| n/a |
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| Name | BDBM50307359 |
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| Synonyms: | CHEMBL591371 | N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-5-(benzyloxy)-1-(3,5-difluorophenoxy)-3-hydroxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide |
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| Type | Small organic molecule |
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| Emp. Form. | C49H55F2N5O9S |
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| Mol. Mass. | 928.051 |
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| SMILES | CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| |
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| Structure | 
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