BDBM771 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::CHEMBL16584::Cyclooctylpyranone 4::Cyclooctylpyranone 5d

SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1ccccc1

InChI Key InChIKey=JHWCZVFBDHIFSP-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 = 771   

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

LigandPNGBDBM771(3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...)
Affinity DataKi:  15nMAssay 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 DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM771(3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...)
Affinity DataKi:  15nM ΔG°:  -10.6kcal/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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM771(3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...)
Affinity DataKi:  96nMAssay Description:Inhibitory activity against HIV-I protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed