Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 420.5 BDBM111805

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))	BDBM111805 (2,6-Bis[4-(methylaminoethanol)benzylidine] cyclohe...) Show SMILES CNC(CO)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1 Show InChI InChI=1S/C26H32N2O3/c1-27-24(16-29)20-10-6-18(7-11-20)14-22-4-3-5-23(26(22)31)15-19-8-12-21(13-9-19)25(17-30)28-2/h6-15,24-25,27-30H,3-5,16-17H2,1-2H3/b22-14+,23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.96E+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))	BDBM111805 (2,6-Bis[4-(methylaminoethanol)benzylidine] cyclohe...) Show SMILES CNC(CO)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1 Show InChI InChI=1S/C26H32N2O3/c1-27-24(16-29)20-10-6-18(7-11-20)14-22-4-3-5-23(26(22)31)15-19-8-12-21(13-9-19)25(17-30)28-2/h6-15,24-25,27-30H,3-5,16-17H2,1-2H3/b22-14+,23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+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))	BDBM111805 (2,6-Bis[4-(methylaminoethanol)benzylidine] cyclohe...) Show SMILES CNC(CO)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1 Show InChI InChI=1S/C26H32N2O3/c1-27-24(16-29)20-10-6-18(7-11-20)14-22-4-3-5-23(26(22)31)15-19-8-12-21(13-9-19)25(17-30)28-2/h6-15,24-25,27-30H,3-5,16-17H2,1-2H3/b22-14+,23-15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM111805 (2,6-Bis[4-(methylaminoethanol)benzylidine] cyclohe...) Show SMILES CNC(CO)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1 Show InChI InChI=1S/C26H32N2O3/c1-27-24(16-29)20-10-6-18(7-11-20)14-22-4-3-5-23(26(22)31)15-19-8-12-21(13-9-19)25(17-30)28-2/h6-15,24-25,27-30H,3-5,16-17H2,1-2H3/b22-14+,23-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.66E+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))	BDBM111805 (2,6-Bis[4-(methylaminoethanol)benzylidine] cyclohe...) Show SMILES CNC(CO)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1 Show InChI InChI=1S/C26H32N2O3/c1-27-24(16-29)20-10-6-18(7-11-20)14-22-4-3-5-23(26(22)31)15-19-8-12-21(13-9-19)25(17-30)28-2/h6-15,24-25,27-30H,3-5,16-17H2,1-2H3/b22-14+,23-15+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.24E+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