Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.5 BDBM50045850

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

Found 3 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 G/H synthase 1 (Ovis aries (Sheep))	BDBM50045850 (CHEMBL3309950) Show SMILES CN(C)c1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H31N5O5/c1-31(2)26-12-10-22(28(16-26)34(37)38)14-24-19-33(18-21-8-6-5-7-9-21)20-25(30(24)36)15-23-11-13-27(32(3)4)17-29(23)35(39)40/h5-17H,18-20H2,1-4H3/b24-14+,25-15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50045850 (CHEMBL3309950) Show SMILES CN(C)c1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H31N5O5/c1-31(2)26-12-10-22(28(16-26)34(37)38)14-24-19-33(18-21-8-6-5-7-9-21)20-25(30(24)36)15-23-11-13-27(32(3)4)17-29(23)35(39)40/h5-17H,18-20H2,1-4H3/b24-14+,25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50045850 (CHEMBL3309950) Show SMILES CN(C)c1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H31N5O5/c1-31(2)26-12-10-22(28(16-26)34(37)38)14-24-19-33(18-21-8-6-5-7-9-21)20-25(30(24)36)15-23-11-13-27(32(3)4)17-29(23)35(39)40/h5-17H,18-20H2,1-4H3/b24-14+,25-15+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
					More data for this Ligand-Target Pair