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SMILES [#6]-[#6](-[#6])-[#6](=O)[C@@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O

InChI Key InChIKey=GQRREYKSPJMLAW-KZFONMTISA-N

  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 = 50377913   

TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50377913(HYPERFORIN)copy SMILEScopy InChI
Affinity DataKi:  27nMAssay Description:Binding affinity to pregnane receptor in human hepatocytesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H99642PubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50377913(HYPERFORIN)copy SMILEScopy InChI
Affinity DataKi:  27nMAssay Description:Displacement of [3H]SR12813 from human PXR by scintillation proximity competition binding assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29P32H0PubMed
TargetPyruvate dehydrogenase complex component E2(Homo sapiens (Human))TBA
LigandPNGBDBM50377913(HYPERFORIN)copy SMILEScopy InChI
Affinity DataKd:  578nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K64P2NPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50377913(HYPERFORIN)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H99642PubMed