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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 17 hits for monomerid = 50041234
Affinity DataKi: 40nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 90nMAssay Description:Mixed type inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 250nMAssay Description:Mixed inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
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
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
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
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
Affinity DataKi: 2.20E+3nMAssay Description:Competitive inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 2.50E+4nMAssay Description:Non competitive inhibition of CYP3A4 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
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of AChE by spectrophotometryMore data for this Ligand-Target Pair
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
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
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
Affinity DataIC50: 460nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Human)
University of Santiago De Compostela
Curated by ChEMBL
University of Santiago De Compostela
Curated by ChEMBL
Affinity DataIC50: 8.51E+4nMAssay Description:Inhibition of MAO-A activityMore data for this Ligand-Target Pair
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
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