Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM124334'   

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))	BDBM124334 (US8759537, 72) Show SMILES Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3cccc(F)c3)c(OCC(F)F)cc12 Show InChI InChI=1S/C29H28F5N5O3/c1-29(2,3)27(41)35-13-15-8-9-19(31)25(24(15)34)38-28-37-20-11-18(26(40)36-17-7-5-6-16(30)10-17)22(42-14-23(32)33)12-21(20)39(28)4/h5-12,23H,13-14H2,1-4H3,(H,35,41)(H,36,40)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
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