BDBM1016 N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)propane-1-sulfonamide::Tipranavir deriv. 28

SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)CCC)c2)C(=O)O1

InChI Key InChIKey=FMFWMTROLYFNID-UHFFFAOYSA-N

Data  1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1016   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1016(N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propy...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)CCC)c2)C(=O)O1
Show InChI InChI=1S/C28H37NO5S/c1-4-16-28(17-15-21-11-8-7-9-12-21)20-25(30)26(27(31)34-28)24(6-3)22-13-10-14-23(19-22)29-35(32,33)18-5-2/h7-14,19,24,26,29H,4-6,15-18,20H2,1-3H3
Affinity DataKi: >1.00E+3nM ΔG°: >-8.10kcal/molepH: 5.0 T: 2°CAssay 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...More data for this Ligand-Target Pair