BDBM50310824 6',7'-dihydroxybergamottin::CHEMBL1079119

SMILES C\C(CC[C@@H](O)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12

InChI Key InChIKey=IXZUPBUEKFXTSD-INMULRNOSA-N

Data  2 KI  3 IC50

  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 5 hits for monomerid = 50310824   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310824(6',7'-dihydroxybergamottin | CHEMBL1079119)
Affinity DataKi:  5.56E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by nifedipine oxidation, omeprazole 3-hydroxylation and omeprazole sulfoxydationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310824(6',7'-dihydroxybergamottin | CHEMBL1079119)
Affinity DataKi:  5.90E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Ramkhamhaeng University

Curated by ChEMBL
LigandPNGBDBM50310824(6',7'-dihydroxybergamottin | CHEMBL1079119)
Affinity DataIC50:  1.54E+4nMAssay Description:Inhibition of horse serum BChE after 2 mins by Ellman's reactionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310824(6',7'-dihydroxybergamottin | CHEMBL1079119)
Affinity DataIC50:  810nMAssay Description:Inhibition of CYP3A4 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310824(6',7'-dihydroxybergamottin | CHEMBL1079119)
Affinity DataIC50:  1.58E+3nMAssay Description:Inhibition of CYP3A4 after 30 mins by fluorescence microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed