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  8 IC50  4 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50096619   

TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKi:  600nMAssay Description:Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Nanjing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKi:  1.19E+3nMAssay Description:Competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Nanjing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKi:  2.54E+3nMAssay Description:Competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Nanjing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKi:  5.79E+3nMAssay Description:Non-competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Nanjing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKi:  9.94E+3nMAssay Description:Non-competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of IKK-betaChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArachidonate 5-lipoxygenase(Sus scrofa)
Csir Biosciences

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50:  2.50E+6nMAssay Description:Inhibition of 5-lipoxygenase in pig leukocytes using arachidonic acid as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolycomb protein EED(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKd:  2.80E+3nMAssay Description:Binding affinity to EED (unknown origin) by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Nanjing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKd:  3.64E+3nMAssay Description:Binding affinity to G6PD (unknown origin) assessed as equilibrium dissociation constant by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Nanjing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50:  5.18E+3nMAssay Description:Inhibition of G6PD (unknown origin) assessed as reduction in 6-phospho-D-glucono-1,5-lactone and NADPH production using glucose-6-phosphate and NADP+...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolycomb protein EED(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKd:  2.82E+3nMAssay Description:Binding affinity to CM5 sensor chip immobilised EED (unknown origin) assessed as dissociation constant incubated for 270 secs by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit alpha(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of IKK1Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTelomere resolvase ResT(Borrelia burgdorferi)
University Of Calgary

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50:  8.67E+3nMAssay Description:Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50:  3.78E+3nMAssay Description:Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolycomb protein EED(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataKd:  2.82E+3nMAssay Description:Binding affinity to EED (unknown origin) assessed as dissociation constant SPR assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate BK) (HCV))
Umdnj-New Jersey Medical School

LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50:  3.60E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition assay using HCV NS5B.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Universidade Federal Do Rio De Janeiro

Curated by ChEMBL
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Affinity DataIC50:  2.50E+3nMAssay Description:Tested for the inhibitory activity against 5-lipoxygenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed