Reaction Details | |||
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Target | Cathepsin D | ||
Ligand | BDBM50383846 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_819410 (CHEMBL2033077) | ||
IC50 | 4±n/a nM | ||
Citation | Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Structure guided P1' modifications of HEA derivedß-secretase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett22:3607-11 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cathepsin D | |||
Name: | Cathepsin D | ||
Synonyms: | CATD_HUMAN | CPSD | CTSD | Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor | ||
Type: | Enzyme | ||
Mol. Mass.: | 44551.72 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated. | ||
Residue: | 412 | ||
Sequence: |
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BDBM50383846 | |||
n/a | |||
Name | BDBM50383846 | ||
Synonyms: | CHEMBL2031142 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H39F2N3O3 | ||
Mol. Mass. | 515.6351 | ||
SMILES | C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,1.0,wD:9.10,11.22,3.3,(31.56,-19.68,;30.47,-20.77,;30.47,-22.31,;28.93,-22.31,;28.93,-20.77,;27.59,-21.54,;26.25,-22.32,;24.91,-21.56,;23.58,-22.33,;22.25,-21.57,;22.24,-20.03,;20.91,-22.34,;20.92,-23.88,;19.59,-24.66,;19.61,-26.19,;18.28,-26.97,;16.93,-26.21,;15.61,-26.99,;16.93,-24.67,;15.59,-23.9,;18.26,-23.89,;19.58,-21.58,;19.57,-20.04,;18.23,-19.28,;20.9,-19.26,;26.26,-23.86,;24.93,-24.63,;24.93,-26.18,;23.6,-26.95,;23.6,-28.49,;22.26,-29.25,;24.93,-29.26,;23.58,-30.02,;26.27,-26.95,;27.6,-26.18,;27.6,-24.63,;28.93,-23.86,)| | ||
Structure |