Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50512726'   

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))	BDBM50512726 (CHEMBL4459950) Show SMILES CC[C@@H](CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC(C)C)c2)c1C |r| Show InChI InChI=1S/C34H42N2O3/c1-5-25(19-32(37)38)30-11-8-12-31(23(30)4)36-34(39)33(27-9-6-7-10-27)28-15-13-26(14-16-28)29-18-24(17-22(2)3)20-35-21-29/h8,11-16,18,20-22,25,27,33H,5-7,9-10,17,19H2,1-4H3,(H,36,39)(H,37,38)/t25-,33?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...				Bioorg Med Chem Lett 29: 2700-2705 (2019) Article DOI: 10.1016/j.bmcl.2019.07.007 BindingDB Entry DOI: 10.7270/Q2FX7DTB
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Mus musculus)	BDBM50512726 (CHEMBL4459950) Show SMILES CC[C@@H](CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC(C)C)c2)c1C |r| Show InChI InChI=1S/C34H42N2O3/c1-5-25(19-32(37)38)30-11-8-12-31(23(30)4)36-34(39)33(27-9-6-7-10-27)28-15-13-26(14-16-28)29-18-24(17-22(2)3)20-35-21-29/h8,11-16,18,20-22,25,27,33H,5-7,9-10,17,19H2,1-4H3,(H,36,39)(H,37,38)/t25-,33?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate incubated f...				Bioorg Med Chem Lett 29: 2700-2705 (2019) Article DOI: 10.1016/j.bmcl.2019.07.007 BindingDB Entry DOI: 10.7270/Q2FX7DTB
					More data for this Ligand-Target Pair