BDBM76798 (E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one::(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one::(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one::(E)-1-[3-[(2E)-3,7-dimethyl-6-oxidanyl-octa-2,7-dienyl]-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one::MLS002472953::SMR001397061::cid_10409180::xanthoangelol B

SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O

InChI Key InChIKey=NCHZAFAGBAEJJJ-UHFFFAOYSA-N

Data  1 KI  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 76798   

TargetSentrin-specific protease 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataIC50: 4.22E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetCaspase-3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataIC50: 2.81E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataIC50: 5.08E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetNeuraminidase(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataIC50: 2.25E+4nMAssay Description:Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetSensory histidine kinase DcuS(Staphylococcus aureus)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataIC50: 3.39E+5nMAssay Description:Inhibition of recombinant Staphylococcus aureus AgrC autophosphorylation expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetHistidine protein kinase SaeS(Staphylococcus aureus (strain NCTC 8325 / PS 47))
University of Southampton

Curated by ChEMBL
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataIC50: 2.20E+5nMAssay Description:Inhibition of recombinant Staphylococcus aureus SaeS autophosphorylation expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetHistidine protein kinase SaeS(Staphylococcus aureus (strain NCTC 8325 / PS 47))
University of Southampton

Curated by ChEMBL
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataKd:  4.00E+4nMAssay Description:Binding affinity to Staphylococcus aureus SaeS kinase domain after 15 mins by fluorescence spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM76798(xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...)
Affinity DataKi:  2.07E+4nMAssay Description:Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed