BDBM766 Cyclooctylpyranonesulfonamide deriv. 8e::N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}-4-methylbenzene-1-sulfonamide::Sulfonamide-Substituted Cyclooctylpyranone deriv. 35a::U-103017 Analog

SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O

InChI Key InChIKey=WMWRKGRHVTXXNA-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 766   

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

LigandPNGBDBM766(Sulfonamide-Substituted Cyclooctylpyranone deriv. ...)
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
In Depth
Date in BDB:
6/14/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM766(Sulfonamide-Substituted Cyclooctylpyranone deriv. ...)
Affinity DataKi:  3nMAssay Description:Inhibition of HIV-1 protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

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

LigandPNGBDBM766(Sulfonamide-Substituted Cyclooctylpyranone deriv. ...)
Affinity DataKi:  3.30nM ΔG°:  -11.4kcal/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
In Depth
Date in BDB:
10/4/2004
Entry Details Article
PubMed