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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pregnane X receptor (Homo sapiens (Human)) | BDBM50377913 (HYPERFORIN) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westfalische Wilhelms-Universitat Curated by ChEMBL | Assay Description Binding affinity to pregnane receptor in human hepatocytes | J Nat Prod 73: 1015-21 (2010) Article DOI: 10.1021/np1000329 BindingDB Entry DOI: 10.7270/Q2H99642 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50377913 (HYPERFORIN) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano Curated by ChEMBL | Assay Description Displacement of [3H]SR12813 from human PXR by scintillation proximity competition binding assay | J Nat Prod 65: 433-8 (2002) BindingDB Entry DOI: 10.7270/Q29P32H0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50377913 (HYPERFORIN) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfalische Wilhelms-Universitat Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | J Nat Prod 73: 1015-21 (2010) Article DOI: 10.1021/np1000329 BindingDB Entry DOI: 10.7270/Q2H99642 | |||||||||||
More data for this Ligand-Target Pair |