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  5 KI  4 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 12 hits for monomerid = 50041234   

TargetCytochrome P450 2A13(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  40nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
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))
University Of Kansas

Curated by ChEMBL
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))
University Of Kansas

Curated by ChEMBL
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))
University Of Kansas

Curated by ChEMBL
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
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Monastir

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataIC50:  760nMAssay Description:Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Monastir

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataIC50:  5.40E+4nMAssay Description:Inhibition of AChE by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A13(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKd:  1.60E+3nMAssay Description:Binding affinity to CYP2A13 (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
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataEC50:  1.48E+4nMAssay Description:Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by ELIS...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
University Of Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataIC50:  8.51E+4nMAssay Description:Inhibition of MAO-A activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
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
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
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