null

SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O

InChI Key InChIKey=LKLASFRCXLTNMY-FCXRPNKRSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50163748   

TargetPolyunsaturated fatty acid lipoxygenase ALOX12(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of 12-LO in human neutrophilsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2QWNPubMed
TargetMicrotubule-associated protein tau(Homo sapiens (Human))TBA
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8JX9PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate preincubated for 15 mins measured after 10 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2QWNPubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2QWNPubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2QWNPubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate additi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2QWNPubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2QWNPubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28916ZMPubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 290nMAssay Description:Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28916ZMPubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 minMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28916ZMPubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 1.49E+3nMAssay Description:Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 minMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28916ZMPubMed
TargetProtein kinase C delta type(Homo sapiens (Human))
University of Houston

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataEC50:  1.50E+4nMAssay Description:Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1CSTPubMed
TargetProtein kinase C epsilon type(Homo sapiens (Human))
University of Houston

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataEC50:  1.88E+4nMAssay Description:Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1CSTPubMed
TargetProtein kinase C theta type(Homo sapiens (Human))
University of Houston

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataEC50:  7.25E+3nMAssay Description:Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1CSTPubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 9.70E+3nMAssay Description:Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8DJDPubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
UNED

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 1.94E+4nMAssay Description:Reduction of MMP9 activity in TNF-alpha/IL1-beta-stimulated human Caco-2 cells treated 1 hr before stimulation by zymographyMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25T3MDDPubMed
TargetAlpha-synuclein(Homo sapiens (Human))TBA
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 1.27E+5nMAssay Description:Inhibition of wild type alpha-synuclein aggregation (unknown origin) expressed in Escherichia coli BL21 cells incubated for 30 days by thioflavin T b...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H998V9PubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))TBA
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 476nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8JX9PubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))TBA
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 9.70E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8JX9PubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))TBA
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 8.70E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8JX9PubMed
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50163748((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)copy SMILEScopy InChI
Affinity DataIC50: 1.62E+4nMAssay Description:Inhibition of STAT3 transcriptional activity in human HaCaT cells after 6 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2QWNPubMed