Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.1 BDBM50443840

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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443840 (CHEMBL3094428) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-11-16-20(25(33)34)35-26-29-21(28)17-22(30-26)31-27-32-23(18-12-7-5-8-13-18)24(36-27)19-14-9-6-10-15-19/h5-10,12-15,17,20H,2-4,11,16H2,1H3,(H,33,34)(H,29,30,31,32)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443840 (CHEMBL3094428) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-11-16-20(25(33)34)35-26-29-21(28)17-22(30-26)31-27-32-23(18-12-7-5-8-13-18)24(36-27)19-14-9-6-10-15-19/h5-10,12-15,17,20H,2-4,11,16H2,1H3,(H,33,34)(H,29,30,31,32)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443840 (CHEMBL3094428) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-11-16-20(25(33)34)35-26-29-21(28)17-22(30-26)31-27-32-23(18-12-7-5-8-13-18)24(36-27)19-14-9-6-10-15-19/h5-10,12-15,17,20H,2-4,11,16H2,1H3,(H,33,34)(H,29,30,31,32)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair