Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50008120
Substrate
n/a
Meas. Tech.
ChEBML_44987
IC50
16940±n/a nM
Citation
 Doherty, AM; Sircar, I; Kornberg, BE; Quin, J; Winters, RT; Kaltenbronn, JS; Taylor, MD; Batley, BL; Rapundalo, SR; Ryan, MJ Design and synthesis of potent, selective, and orally active fluorine-containing renin inhibitors. J Med Chem 35:2-14 (1992) [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:
BDBM50008120
Synonyms:
(4-{[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy-3-(2-morpholin-4-yl-ethylcarbamoyl)-propylcarbamoyl]-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-methyl}-thiazol-2-yl)-carbamic acid benzyl ester | CHEMBL285884
Type:
Small organic molecule
Emp. Form.:
C43H58F2N8O10S2
Mol. Mass.:
949.095
SMILES:
OC([C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)c1csc(NC(=O)OCc2ccccc2)n1)C(F)(F)C(=O)NCCN1CCOCC1
Structure:
Search PDB for entries with ligand similarity: