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Target
Cathepsin D
Ligand
BDBM16751
Substrate
n/a
Meas. Tech.
ChEMBL_462006 (CHEMBL944849)
IC50
60000±n/a nM
Citation
 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg Med Chem Lett 18:1063-6 (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:
BDBM16751
Synonyms:
(N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-acetamide) | Acylguanidine, 7a | CHEMBL217068 | N-(diaminomethylidene)-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C19H18N4O
Mol. Mass.:
318.3724
SMILES:
NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1
Structure:
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