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

InChI Key InChIKey=XQDCKJKKMFWXGB-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2SJ1KFHPubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2RF5ZSQPubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2RF5ZSQPubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2RF5ZSQPubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2RF5ZSQPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IKK-betaChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DB82RHPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2GF0WHXPubMed
TargetPolycomb protein EED(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23R0XMCPubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2RF5ZSQPubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2RF5ZSQPubMed
TargetPolycomb protein EED(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
Affinity DataKd:  2.82E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PR80Z0PubMed
TargetPolycomb protein EED(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
Affinity DataKd:  2.82E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DN4921PubMed
TargetPolycomb protein EED(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
Affinity DataKd:  2.82E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSolute carrier family 22 member 1(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
Affinity DataIC50: 3.84E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSolute carrier family 22 member 2(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
Affinity DataIC50: 1.73E+4nMMore data for this Ligand-Target Pair
In DepthDetails
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IKK1Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DB82RHPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26W9BBGPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2SJ1KFHPubMed
TargetPolycomb protein EED(Homo sapiens (Human))TBA
LigandPNGBDBM50096619(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)copy SMILEScopy InChI
Affinity DataKd:  2.82E+3nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2R78CT6PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Tested for the inhibitory activity against 5-lipoxygenaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SX6CG5PubMed