BDBM50041234 6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone::8-MP::8-methoxy-2',3',6,7-furocoumarin::8-methoxy-4',5':6,7-furocoumarin::8-methoxy-[furano-3'.2':6.7-coumarin]::8-methoxypsoralen::9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one::9-methoxy-7H-furo[3,2-g]chromen-7-one::CHEMBL416::METHOXSALEN::xanthotoxin

SMILES COc1c2occc2cc2ccc(=O)oc12

InChI Key InChIKey=QXKHYNVANLEOEG-UHFFFAOYSA-N

Data  9 KI  5 IC50  2 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50041234   

TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  90nMAssay Description:Mixed type inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  250nMAssay Description:Mixed inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  260nMAssay Description:Non competitive inhibition of CYP2A6 in human liver microsome using coumarin as substrate preincubated with NADPH for 5 mins and measured after 30 mi...More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation using a recombinant systemMore data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  1.90E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylationMore data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  1.90E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation using human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataIC50:  460nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKd:  1.10E+4nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair