Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 630.6 BDBM50114566

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))	BDBM50114566 (CHEMBL3608856) Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,25| Show InChI InChI=1S/C39H34O8/c1-18(2)25(27-33(41)21-14-8-9-15-22(21)34(27)42)29-37(45)30(39(47)31(38(29)46)32(40)20-12-6-5-7-13-20)26(19(3)4)28-35(43)23-16-10-11-17-24(23)36(28)44/h5-19,25-26,41,43,45-47H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	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))	BDBM50114566 (CHEMBL3608856) Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,25| Show InChI InChI=1S/C39H34O8/c1-18(2)25(27-33(41)21-14-8-9-15-22(21)34(27)42)29-37(45)30(39(47)31(38(29)46)32(40)20-12-6-5-7-13-20)26(19(3)4)28-35(43)23-16-10-11-17-24(23)36(28)44/h5-19,25-26,41,43,45-47H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+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))	BDBM50114566 (CHEMBL3608856) Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,25| Show InChI InChI=1S/C39H34O8/c1-18(2)25(27-33(41)21-14-8-9-15-22(21)34(27)42)29-37(45)30(39(47)31(38(29)46)32(40)20-12-6-5-7-13-20)26(19(3)4)28-35(43)23-16-10-11-17-24(23)36(28)44/h5-19,25-26,41,43,45-47H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	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