BDBM50377913 HYPERFORIN

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

Data  2 KI  1 IC50  1 Kd

  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 4 hits for monomerid = 50377913   

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

Curated by ChEMBL
LigandPNGBDBM50377913(HYPERFORIN)
Affinity DataKi:  27nMAssay Description:Binding affinity to pregnane receptor in human hepatocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50377913(HYPERFORIN)
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 ArticlePubMed
TargetPyruvate dehydrogenase complex component E2(Homo sapiens (Human))
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50377913(HYPERFORIN)
Affinity DataKd:  578nMAssay Description:Binding affinity to recombinant GFP fused Dalt (unknown origin) by Lip-SMap analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50377913(HYPERFORIN)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed