Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM286027'   

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))	BDBM286027 (2-(Difluoromethyl)-N-(1-methyl-2-(4-(trifluorometh...) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C)c(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H25F5N4O2/c1-15(2)26(38)35-14-16-10-21(24(25(29)30)34-13-16)27(39)36-20-8-9-22-18(11-20)12-23(37(22)3)17-4-6-19(7-5-17)28(31,32)33/h4-13,15,25H,14H2,1-3H3,(H,35,38)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	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))	BDBM286027 (2-(Difluoromethyl)-N-(1-methyl-2-(4-(trifluorometh...) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C)c(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H25F5N4O2/c1-15(2)26(38)35-14-16-10-21(24(25(29)30)34-13-16)27(39)36-20-8-9-22-18(11-20)12-23(37(22)3)17-4-6-19(7-5-17)28(31,32)33/h4-13,15,25H,14H2,1-3H3,(H,35,38)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.6	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