Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50080991
Substrate
n/a
Meas. Tech.
ChEMBL_2051500 (CHEMBL4706199)
IC50
210±n/a nM
Citation
Goyal, S; Patel, KV; Nagare, Y; Raykar, DB; Raikar, SS; Dolas, A; Khurana, P; Cyriac, R; Sarak, S; Gangar, M; Agarwal, AK; Kulkarni, A Identification and structure-activity relationship studies of small molecule inhibitors of the human cathepsin D. Bioorg Med Chem 29:0 (2021) [PubMed] Article
More Info.:
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:
BDBM50080991
Synonyms:
5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one | CHEMBL68595
Type:
Small organic molecule
Emp. Form.:
C27H23NO4S2
Mol. Mass.:
489.606
SMILES:
CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1 |w:16.16,c:21|