| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cathepsin D |
|---|
| Ligand | BDBM50055930 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1458603 (CHEMBL3371146) |
|---|
| IC50 | 81±n/a nM |
|---|
| 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 |
|---|
| 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: | MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVP
AVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIH
HKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFG
EATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQ
PGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSL
MVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQ
AGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
|
|
|
|---|
| BDBM50055930 |
|---|
| n/a |
|---|
| Name | BDBM50055930 |
|---|
| Synonyms: | CHEMBL3321934 | US9884814, Compound 276 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C28H35FN8O4 |
|---|
| Mol. Mass. | 566.6271 |
|---|
| SMILES | COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(-c3nnn[nH]3)c(F)c2)cc1OC |r| |
|---|
| Structure | 
|
|---|
Search and Browse
