Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4 BDBM111807Purchase

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

Found 5 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	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin E synthase (Homo sapiens (Human))	BDBM111807 (2,6-Bis(2,3-dimethoxybenzylidene)cyclohexanone (3)) Show SMILES COc1cccc(\C=C2/CCC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC Show InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+	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	7.34E+3	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
Phospholipase A2 (Homo sapiens (Human))	BDBM111807 (2,6-Bis(2,3-dimethoxybenzylidene)cyclohexanone (3)) Show SMILES COc1cccc(\C=C2/CCC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC Show InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+	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	1.10E+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 G/H synthase 1 (Ovis aries (Sheep))	BDBM111807 (2,6-Bis(2,3-dimethoxybenzylidene)cyclohexanone (3)) Show SMILES COc1cccc(\C=C2/CCC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC Show InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+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))	BDBM111807 (2,6-Bis(2,3-dimethoxybenzylidene)cyclohexanone (3)) Show SMILES COc1cccc(\C=C2/CCC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC Show InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.78E+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))	BDBM111807 (2,6-Bis(2,3-dimethoxybenzylidene)cyclohexanone (3)) Show SMILES COc1cccc(\C=C2/CCC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC Show InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+	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	5.32E+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