Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50398303
Substrate
n/a
Meas. Tech.
ChEMBL_874924 (CHEMBL2183109)
IC50
>40000±n/a nM
Citation
 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Structure- and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer's disease. J Med Chem 55:9156-69 (2012) [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:
BDBM50398303
Synonyms:
CHEMBL2177336
Type:
Small organic molecule
Emp. Form.:
C21H16FN3O3
Mol. Mass.:
377.3684
SMILES:
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F |c:18|
Structure:
Search PDB for entries with ligand similarity: