BindingDB PrimarySearch

BDBM50163748 (E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethenyl]-1H-pyrazole::4,4'-2,2'-(1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)::4,40-(1E,10E)-2,20-(1-H-Pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)::4-((E)-2-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1H-pyrazol-5-yl}vinyl)-2-methoxyphenol::4-(2-(5-(4-hydroxy-3-methoxystyryl)-1H-pyrazol-3-yl)vinyl)-2-methoxyphenol::CHEMBL180239

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

InChI Key: InChIKey=LKLASFRCXLTNMY-FCXRPNKRSA-N

Data: 13 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50163748
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 12-LO in human neutrophils				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
University Jena Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate preincubated for 15 mins measured after 10 mins by HPLC analysis				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
University Jena Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
University Jena Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
University Jena Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate additi...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
University Jena Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured a...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
University Jena Curated by ChEMBL					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese...				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 19: 6196-202 (2011) Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST
University of Houston Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C, epsilon (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 19: 6196-202 (2011) Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST
University of Houston Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 19: 6196-202 (2011) Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST
University of Houston Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4				Bioorg Med Chem Lett 15: 1793-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.039 BindingDB Entry DOI: 10.7270/Q20V8DJD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
UNED Curated by ChEMBL					Assay Description Reduction of MMP9 activity in TNF-alpha/IL1-beta-stimulated human Caco-2 cells treated 1 hr before stimulation by zymography				Bioorg Med Chem 17: 1290-6 (2009) Article DOI: 10.1016/j.bmc.2008.12.029 BindingDB Entry DOI: 10.7270/Q25T3MDD
UNED Curated by ChEMBL					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of STAT3 transcriptional activity in human HaCaT cells after 6 hrs by luciferase reporter gene assay				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
University Jena Curated by ChEMBL					More data for this Ligand-Target Pair