Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM286069'   

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))	BDBM286069 (2-Chloro-N-(3-oxo-2-(4-(trifluoromethyl)phenyl)iso...) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H25ClF3N3O3/c1-27(2,3)26(38)33-14-16-4-11-23(29)22(12-16)24(36)34-19-8-5-17-15-35(25(37)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13H,14-15H2,1-3H3,(H,33,38)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.18	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))	BDBM286069 (2-Chloro-N-(3-oxo-2-(4-(trifluoromethyl)phenyl)iso...) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H25ClF3N3O3/c1-27(2,3)26(38)33-14-16-4-11-23(29)22(12-16)24(36)34-19-8-5-17-15-35(25(37)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13H,14-15H2,1-3H3,(H,33,38)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.51	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