BDBM2203 (3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phenylsulfanyl)-4-hydroxy-6-isopropyl-6-phenethyl-5,6-dihydro-pyran-2-one::3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(2-phenylethyl)-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 42
SMILES: CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1
InChI Key: InChIKey=BSXHXROVNVVYIH-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM2203 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)... | Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B | |||||||||||
More data for this Ligand-Target Pair |