Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50373813
Substrate
n/a
Meas. Tech.
ChEMBL_468540 (CHEMBL931965)
IC50
10000±n/a nM
Citation
 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G BACE-1 inhibitors part 1: identification of novel hydroxy ethylamines (HEAs). Bioorg Med Chem Lett 18:1011-6 (2008) [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:
BDBM50373813
Synonyms:
CHEMBL271437
Type:
Small organic molecule
Emp. Form.:
C29H40N4O5S
Mol. Mass.:
556.717
SMILES:
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCS1(=O)=O)C(=O)NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: