Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.5 BDBM50114429Purchase

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 E synthase (Homo sapiens (Human))	BDBM50114429 (CHEMBL3608362) Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O |c:4| Show InChI InChI=1S/C24H32O7/c1-10(2)14(17-20(29)23(5,6)22(31)24(7,8)21(17)30)15-12(25)9-13(26)16(19(15)28)18(27)11(3)4/h9-11,14,25-26,28-29H,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...				Eur J Med Chem 101: 133-49 (2015) Article DOI: 10.1016/j.ejmech.2015.06.001 BindingDB Entry DOI: 10.7270/Q2DB83P1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50114429 (CHEMBL3608362) Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O |c:4| Show InChI InChI=1S/C24H32O7/c1-10(2)14(17-20(29)23(5,6)22(31)24(7,8)21(17)30)15-12(25)9-13(26)16(19(15)28)18(27)11(3)4/h9-11,14,25-26,28-29H,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...				Eur J Med Chem 101: 133-49 (2015) Article DOI: 10.1016/j.ejmech.2015.06.001 BindingDB Entry DOI: 10.7270/Q2DB83P1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50114429 (CHEMBL3608362) Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O |c:4| Show InChI InChI=1S/C24H32O7/c1-10(2)14(17-20(29)23(5,6)22(31)24(7,8)21(17)30)15-12(25)9-13(26)16(19(15)28)18(27)11(3)4/h9-11,14,25-26,28-29H,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...				Eur J Med Chem 101: 133-49 (2015) Article DOI: 10.1016/j.ejmech.2015.06.001 BindingDB Entry DOI: 10.7270/Q2DB83P1
					More data for this Ligand-Target Pair