| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin D |
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| Ligand | BDBM50081645 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1474436 (CHEMBL3423725) |
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| IC50 | 9400±n/a nM |
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| Citation |  Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors. J Med Chem58:3223-52 (2015) [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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| BDBM50081645 |
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| n/a |
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| Name | BDBM50081645 |
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| Synonyms: | CHEMBL3422237 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H17F2N3O2S |
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| Mol. Mass. | 365.398 |
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| SMILES | [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5| |
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| Structure | 
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