Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM286026'   

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))	BDBM286026 (2-Chloro-N-(1-ethyl-2-(4-fluorophenyl)-1H-indol-5-...) Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C29H29ClFN3O2/c1-5-34-25-13-11-22(15-20(25)16-26(34)19-7-9-21(31)10-8-19)33-27(35)23-14-18(6-12-24(23)30)17-32-28(36)29(2,3)4/h6-16H,5,17H2,1-4H3,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.88	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))	BDBM286026 (2-Chloro-N-(1-ethyl-2-(4-fluorophenyl)-1H-indol-5-...) Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C29H29ClFN3O2/c1-5-34-25-13-11-22(15-20(25)16-26(34)19-7-9-21(31)10-8-19)33-27(35)23-14-18(6-12-24(23)30)17-32-28(36)29(2,3)4/h6-16H,5,17H2,1-4H3,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	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