Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM286070'   

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))	BDBM286070 (2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...) Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H22F6N4O3/c1-26(2,30)25(40)35-12-14-8-20(21(22(28)29)34-11-14)23(38)36-17-7-6-15-13-37(24(39)19(15)10-17)18-5-3-4-16(9-18)27(31,32)33/h3-11,22H,12-13H2,1-2H3,(H,35,40)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.18	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))	BDBM286070 (2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...) Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H22F6N4O3/c1-26(2,30)25(40)35-12-14-8-20(21(22(28)29)34-11-14)23(38)36-17-7-6-15-13-37(24(39)19(15)10-17)18-5-3-4-16(9-18)27(31,32)33/h3-11,22H,12-13H2,1-2H3,(H,35,40)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.5	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