Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50303742
Substrate
n/a
Meas. Tech.
ChEMBL_597056 (CHEMBL1044551)
IC50
36600±n/a nM
Citation
 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J Med Chem 53:1146-58 (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:
BDBM50303742
Synonyms:
5-Adamantan-1-yl-2-amino-5-(3,4-dimethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one | CHEMBL567485
Type:
Small organic molecule
Emp. Form.:
C22H29N3O3
Mol. Mass.:
383.484
SMILES:
COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:12,TLB:10:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Structure:
Search PDB for entries with ligand similarity: