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Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 354.3
BDBM111811

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phospholipase A2 (Homo sapiens (Human))	BDBM111811 ((1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia					Assay Description Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aq...				Chem Biol Drug Des 83: 670-81 (2014) Article DOI: 10.1111/cbdd.12280 BindingDB Entry DOI: 10.7270/Q26H4G2V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM111811 ((1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	7.0	20
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia					Assay Description The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...				Chem Biol Drug Des 83: 670-81 (2014) Article DOI: 10.1111/cbdd.12280 BindingDB Entry DOI: 10.7270/Q26H4G2V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM111811 ((1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pe...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.15E+4	n/a	n/a	n/a	n/a	8.0	37
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia					Assay Description Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 83: 670-81 (2014) Article DOI: 10.1111/cbdd.12280 BindingDB Entry DOI: 10.7270/Q26H4G2V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max (Soybean))	BDBM111811 ((1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pe...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.29E+4	n/a	n/a	n/a	n/a	7.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia					Assay Description The assay was progressed in 96-well microliter plates containing substrate, soybean LOX enzyme, and respective test substance at room temperature in ...				Chem Biol Drug Des 83: 670-81 (2014) Article DOI: 10.1111/cbdd.12280 BindingDB Entry DOI: 10.7270/Q26H4G2V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM111811 ((1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pe...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.07E+4	n/a	n/a	n/a	n/a	8.0	37
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia					Assay Description Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 83: 670-81 (2014) Article DOI: 10.1111/cbdd.12280 BindingDB Entry DOI: 10.7270/Q26H4G2V
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM111811 ((1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pe...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a
University of New Mexico Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay				Eur J Med Chem 143: 854-865 (2018) Article DOI: 10.1016/j.ejmech.2017.11.048 BindingDB Entry DOI: 10.7270/Q2QC0629
University of New Mexico Curated by ChEMBL					More data for this Ligand-Target Pair