Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.3 BDBM50452074

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))	BDBM50452074 (CHEMBL4204099) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-14(25)8-31-9-15(19)26)6-11(20(12)37-23)21(36)32-10-3-4-16(27)13(5-10)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair