Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50046856
Substrate
n/a
Meas. Tech.
ChEMBL_44982 (CHEMBL660143)
IC50
51±n/a nM
Citation
Shiosaki, K; Tasker, AS; Sullivan, GM; Sorensen, BK; von Geldern, TW; Wu-Wong, JR; Marselle, CA; Opgenorth, TJ Potent and selective inhibitors of an aspartyl protease-like endothelin converting enzyme identified in rat lung. J Med Chem 36:468-78 (1993) [PubMed] Article
More Info.:
Target
Name:
Cathepsin D
Synonyms:
CATD_BOVIN | CTSD
Type:
PROTEIN
Mol. Mass.:
42158.92
Organism:
Bos taurus
Description:
ChEMBL_1458606
Residue:
387
Sequence:
VIRIPLHKFTSIRRTMSEAAGVLIAKGPISKYATGEPAVRQGPIPELLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSANLWVPSIHCKLLDIACWTHRKYNSDKSSTYVKNGTTFDIHYGSGSLSGYLSQDTVSVPCNPSSSSPGGVTVQRQTFGEAIKQPGVVFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDKNVFSFFLNRDPKAQPGGELMLGGTDSKYYRGSLMFHNVTRQAYWQIHMDQLDVGSSLTVCKGGCEAIVDTGTSLIVGPVEEVRELQKAIGAVPLIQGEYMIPCEKVSSLPEVTVKLGGKDYALSPEDYALKVSQAETTVCLSGFMGMDIPPPGGPLWILGDVFIGRYYTVFDRDQNRVGLAEAARL
Inhibitor
Name:
BDBM50046856
Synonyms:
CHEMBL143902 | [1-(1-{1-[1-Hydroxy-2-(5-hydroxy-pentylcarbamoyl)-ethyl]-3-methyl-butylcarbamoyl}-2-methyl-butylcarbamoyl)-2-methyl-butyl]-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C30H58N4O7
Mol. Mass.:
586.8041
SMILES:
CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCCO