BDBM50096619 1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one::7-methoxy-5,11,12-trihydroxy-coumestan::CHEMBL97453::Wedelolactone

SMILES: COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1

InChI Key: InChIKey=XQDCKJKKMFWXGB-UHFFFAOYSA-N

Data: 5 KI  10 IC50  6 Kd

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 21 hits for monomerid = 50096619   

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
Polycomb protein EED (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a
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Arachidonate 5-lipoxygenase (Pig)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Inhibitor of nuclear factor kappa-B kinase subunit beta (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Inhibitor of nuclear factor kappa-B kinase subunit alpha (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Telomere resolvase ResT (Borrelia burgdorferi)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonyl reductase [NADPH] 1 (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Polycomb protein EED (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 2 (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 1 (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Polycomb protein EED (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a
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Genome polyprotein (HCV)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	7.0	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polycomb protein EED (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a
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Glucose-6-phosphate 1-dehydrogenase (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polycomb protein EED (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Carbonyl reductase [NADPH] 1 (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		600	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
Glucose-6-phosphate 1-dehydrogenase (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		1.19E+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
Glucose-6-phosphate 1-dehydrogenase (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		2.54E+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
Glucose-6-phosphate 1-dehydrogenase (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		5.79E+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
Glucose-6-phosphate 1-dehydrogenase (Human)	BDBM50096619 (CHEMBL97453 | 1,8,9-Trihydroxy-3-methoxy-benzo[4,5...) Show SMILES Show InChI	GoogleScholar	UniChem		9.94E+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