Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.6 BDBM50369681

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))	BDBM50369681 (CHEMBL4163039) Show SMILES CC(C\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)\C=C(/C)C(O)=O |r| Show InChI InChI=1S/C29H42O4/c1-19(10-8-11-20(2)16-21(3)17-22(4)28(31)32)12-9-14-29(7)15-13-25-18-26(30)23(5)24(6)27(25)33-29/h11-12,17-18,21,30H,8-10,13-16H2,1-7H3,(H,31,32)/b19-12+,20-11+,22-17+/t21?,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abdul Wali Khan University Mardan Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measure...				Eur J Med Chem 153: 2-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.059 BindingDB Entry DOI: 10.7270/Q22R3V7F
					More data for this Ligand-Target Pair