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Target
Cathepsin D
Ligand
BDBM50012255
Substrate
n/a
Meas. Tech.
ChEBML_44985
IC50
>1000±n/a nM
Citation
 Repine, JT; Himmelsbach, RJ; Hodges, JC; Kaltenbronn, JS; Sircar, I; Skeean, RW; Brennan, ST; Hurley, TR; Lunney, E; Humblet, CC Renin inhibitors containing esters at the P2-position. Oral activity in a derivative of methyl aminomalonate. J Med Chem 34:1935-43 (1991) [PubMed]  Article 
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:
BDBM50012255
Synonyms:
CHEMBL293328 | N-[1-Cyclohexylmethyl-2-hydroxy-3-(2-morpholin-4-yl-ethylcarbamoyl)-propyl]-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-malonamic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C34H54N6O10S
Mol. Mass.:
738.892
SMILES:
COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
Structure:
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