BDBM50066920 (S)-2-[(2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-5-((S)-1-methoxycarbonyl-2-methyl-propylcarbamoyl)-pentanoylamino]-3-methyl-butyric acid methyl ester::CHEMBL124434
SMILES: COC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C
InChI Key: InChIKey=WAVMWAUXGCZCQW-BQXGFVACSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50066920 ((S)-2-[(2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydro...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description inhibitory activity against purified HIV-1 protease in a standardized spectrophotometric assay expressed in E. coli | J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93 | |||||||||||
More data for this Ligand-Target Pair |