Target
Cathepsin D
Ligand
BDBM50352851
Substrate
n/a
Meas. Tech.
ChEMBL_767495 (CHEMBL1825607)
IC50
78400±n/a nM
Citation
 Malamas, MSErdei, JGunawan, IBarnes, KHui, YJohnson, MRobichaud, AZhou, PYan, YSolvibile, WTurner, JFan, KYChopra, RBard, JPangalos, MN New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: exploring the S2' region. Bioorg Med Chem Lett 21:5164-70 (2011) [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:
BDBM50352851
Synonyms:
CHEMBL1824362
Type:
Small organic molecule
Emp. Form.:
C22H19FN4O2S
Mol. Mass.:
422.475
SMILES:
CCC(=O)c1cc(cs1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:11|
Structure:
Search PDB for entries with ligand similarity: