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: COc1c2c(cco2)cc3c1OC(=O)C=C3

InChI Key: InChIKey=QXKHYNVANLEOEG-UHFFFAOYSA-N

Data: 9 KI  5 IC50  2 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50041234   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (White button mushroom)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50041234 (9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...) Show SMILES Show InChI	GoogleScholar	UniChem		2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair