Compile Data Set for Download or QSAR
maximum 50k data
Found 3 Enz. Inhib. hit(s) for PDB: 2FDV
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12346(CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-...)
Affinity DataKi:  280nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12346(CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-...)
Affinity DataKi:  800nM ΔG°:  -36.2kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12346(CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-...)
Affinity DataIC50:  1.65E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair