BDBM50209569 4-hydroxy-7H-furo[3,2-g]chromen-7-one::CHEMBL242711::bergaptol

SMILES Oc1c2ccoc2cc2oc(=O)ccc12

InChI Key InChIKey=GIJHDGJRTUSBJR-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50209569   

TargetCytochrome P450 2A6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50209569(4-hydroxy-7H-furo[3,2-g]chromen-7-one | CHEMBL2427...)
Affinity DataKi:  1.16E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50209569(4-hydroxy-7H-furo[3,2-g]chromen-7-one | CHEMBL2427...)
Affinity DataIC50:  2.49E+4nMAssay Description:Inhibition of human recombinant CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50209569(4-hydroxy-7H-furo[3,2-g]chromen-7-one | CHEMBL2427...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed