BDBM547 CHEMBL20846::N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)quinoline-8-sulfonamide::Sulfonamide-Containing 5,6-Dihydro-4-hydroxy-2-pyrones::Tipranavir analog 4

SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C(=O)O1

InChI Key InChIKey=PXEMUSOJMFGOOU-UHFFFAOYSA-N

Data  2 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 547   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM547(CHEMBL20846 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C(=O)O1
Show InChI InChI=1S/C34H36N2O5S/c1-3-19-34(20-18-24-11-6-5-7-12-24)23-29(37)31(33(38)41-34)28(4-2)26-14-8-16-27(22-26)36-42(39,40)30-17-9-13-25-15-10-21-35-32(25)30/h5-17,21-22,28,31,36H,3-4,18-20,23H2,1-2H3
Affinity DataKi:  3nMAssay Description:Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) ProteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM547(CHEMBL20846 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C(=O)O1
Show InChI InChI=1S/C34H36N2O5S/c1-3-19-34(20-18-24-11-6-5-7-12-24)23-29(37)31(33(38)41-34)28(4-2)26-14-8-16-27(22-26)36-42(39,40)30-17-9-13-25-15-10-21-35-32(25)30/h5-17,21-22,28,31,36H,3-4,18-20,23H2,1-2H3
Affinity DataKi:  3nM ΔG°:  -11.5kcal/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