Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM286054'   

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))	BDBM286054 (2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F5N3O3/c1-14(2)25(36)34-13-15-9-20(23(24(28)29)33-12-15)26(37)35-19-7-8-21-17(10-19)11-22(38-21)16-3-5-18(6-4-16)27(30,31)32/h3-12,14,24H,13H2,1-2H3,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.68	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...				US Patent US10081629 (2018) BindingDB Entry DOI: 10.7270/Q20K2BMF
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM286054 (2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F5N3O3/c1-14(2)25(36)34-13-15-9-20(23(24(28)29)33-12-15)26(37)35-19-7-8-21-17(10-19)11-22(38-21)16-3-5-18(6-4-16)27(30,31)32/h3-12,14,24H,13H2,1-2H3,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.5	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...				US Patent US10081629 (2018) BindingDB Entry DOI: 10.7270/Q20K2BMF
					More data for this Ligand-Target Pair