BDBM50613946 5-Allyloxycoumarin::CHEMBL450963

SMILES C=CCOc1cccc2oc(=O)ccc12

InChI Key InChIKey=JYGUAPWLBSTNAB-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50613946   

TargetCytochrome P450 2A6(Human)
Health Sciences University of Hokkaido

Curated by ChEMBL
LigandPNGBDBM50613946(CHEMBL450963 | 5-Allyloxycoumarin)
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
Health Sciences University of Hokkaido

Curated by ChEMBL
LigandPNGBDBM50613946(CHEMBL450963 | 5-Allyloxycoumarin)
Affinity DataKi:  30nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Health Sciences University of Hokkaido

Curated by ChEMBL
LigandPNGBDBM50613946(CHEMBL450963 | 5-Allyloxycoumarin)
Affinity DataKi:  2.81E+4nMAssay Description:Mixed type inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed