Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 689.5 BDBM118807

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM118807 (US8674113, 64) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(cc12)N1CC2CC2C1 Show InChI InChI=1S/C33H33Cl2F3N6O3/c1-32(2,3)30(46)39-14-17-5-10-23(34)28(27(17)35)42-31-41-24-12-22(25(13-26(24)43(31)4)44-15-18-11-19(18)16-44)29(45)40-20-6-8-21(9-7-20)47-33(36,37)38/h5-10,12-13,18-19H,11,14-16H2,1-4H3,(H,39,46)(H,40,45)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	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 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair