Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50005444
Substrate
n/a
Meas. Tech.
ChEBML_44969
IC50
470±n/a nM
Citation
Repine, JT; Kaltenbronn, JS; Doherty, AM; Hamby, JM; Himmelsbach, RJ; Kornberg, BE; Taylor, MD; Lunney, EA; Humblet, C; Rapundalo, ST Renin inhibitors containing alpha-heteroatom amino acids as P2 residues. J Med Chem 35:1032-42 (1992) [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:
BDBM50005444
Synonyms:
CHEMBL406692 | N-[(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-(thiophen-2-ylsulfanyl)-methyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C33H50N4O7S3
Mol. Mass.:
710.968
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)Sc1cccs1