Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50314605
Substrate
n/a
Meas. Tech.
ChEMBL_625149 (CHEMBL1115170)
IC50
26400±n/a nM
Citation
 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Pyridinyl aminohydantoins as small molecule BACE1 inhibitors. Bioorg Med Chem Lett 20:2326-9 (2010) [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:
BDBM50314605
Synonyms:
(R)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one | CHEMBL1093066
Type:
Small organic molecule
Emp. Form.:
C21H16F2N4O
Mol. Mass.:
378.3747
SMILES:
CN1C(N)=N[C@@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3|
Structure:
Search PDB for entries with ligand similarity: