BDBM1180 N-[3-[Cyclopropyl[6-[1-ethyl-3-(2-methoxyethoxy)propyl]-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl]phenyl]-1-methyl-1H-imidazole-4-sulfonamide::N-{3-[cyclopropyl({4-hydroxy-6-[1-(2-methoxyethoxy)pentan-3-yl]-2-oxo-2H-pyran-3-yl})methyl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide::Sulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XX
SMILES: CCC(CCOCCOC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
InChI Key: InChIKey=SMABGRXWDGFPEH-UHFFFAOYSA-N
Data: 1 KI
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) | BDBM1180 (N-[3-[Cyclopropyl[6-[1-ethyl-3-(2-methoxyethoxy)pr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.880 | -12.2 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 2400-10 (1996) Article DOI: 10.1021/jm950888f BindingDB Entry DOI: 10.7270/Q20K26RK | |||||||||||
More data for this Ligand-Target Pair |