BDBM50056875 (2R,3S,5R,6R)-3-((1E,3E)-Hepta-1,3-dienyl)-5,6-dihydroxy-2-hydroxymethyl-cyclohexanone::CHEMBL367001::NSC-246119

SMILES CCC\C=C\C=C\[C@@H]1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO

InChI Key InChIKey=MPOXQBRZHHNMER-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 4 hits for monomerid = 50056875   

TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056875(NSC-246119 | (2R,3S,5R,6R)-3-((1E,3E)-Hepta-1,3-di...)
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay (experiment 2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056875(NSC-246119 | (2R,3S,5R,6R)-3-((1E,3E)-Hepta-1,3-di...)
Affinity DataIC50: 2.68E+5nMAssay Description:Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay (experiment 1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056875(NSC-246119 | (2R,3S,5R,6R)-3-((1E,3E)-Hepta-1,3-di...)
Affinity DataIC50: 2.89E+5nMAssay Description:Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay (experiment 2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056875(NSC-246119 | (2R,3S,5R,6R)-3-((1E,3E)-Hepta-1,3-di...)
Affinity DataIC50: 3.50E+5nMAssay Description:Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay (experiment 1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed