Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50140688'   

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))	BDBM50140688 (CHEMBL3754377) Show SMILES CCCCOC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OCCCC |r| Show InChI InChI=1S/C26H30O8/c1-3-5-11-32-22(30)10-7-16-13-18-23(26(31)33-12-6-4-2)24(34-25(18)21(29)14-16)17-8-9-19(27)20(28)15-17/h7-10,13-15,23-24,27-29H,3-6,11-12H2,1-2H3/b10-7+/t23-,24+/m1/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	2.10E+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
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