Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50443832'   

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))	BDBM50443832 (CHEMBL3091498) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)	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	800	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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443832 (CHEMBL3091498) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair