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Target
Cathepsin D
Ligand
BDBM50448528
Substrate
n/a
Meas. Tech.
ChEMBL_1295589 (CHEMBL3131975)
IC50
69000±n/a nM
Citation
 Thomas, AA; Hunt, KW; Volgraf, M; Watts, RJ; Liu, X; Vigers, G; Smith, D; Sammond, D; Tang, TP; Rhodes, SP; Metcalf, AT; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP; Gunawardana, IW Discovery of 7-tetrahydropyran-2-yl chromans:ß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloidß-protein (Aß) in the central nervous system. J Med Chem 57:878-902 (2014) [PubMed]  Article 
Target
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:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
  
Inhibitor
Name:
BDBM50448528
Synonyms:
CHEMBL3127099
Type:
Small organic molecule
Emp. Form.:
C22H21N3O3
Mol. Mass.:
375.4204
SMILES:
C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N |r,c:12|
Structure:
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