Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50140690'   

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))	BDBM50140690 (CHEMBL3752963) Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@@H]([C@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1 |r| Show InChI InChI=1S/C34H30O8/c35-27-13-12-25(21-28(27)36)32-31(34(39)41-18-16-23-9-5-2-6-10-23)26-19-24(20-29(37)33(26)42-32)11-14-30(38)40-17-15-22-7-3-1-4-8-22/h1-14,19-21,31-32,35-37H,15-18H2/b14-11+/t31-,32+/m0/s1	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair