Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.0 BDBM50512730

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))	BDBM50512730 (CHEMBL4469363) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CS(=O)(=O)C1)c1ccc(cc1)-c1cncc(Cl)c1 Show InChI InChI=1S/C26H25ClN2O5S/c1-16-17(9-10-24(30)31)3-2-4-23(16)29-26(32)25(21-14-35(33,34)15-21)19-7-5-18(6-8-19)20-11-22(27)13-28-12-20/h2-8,11-13,21,25H,9-10,14-15H2,1H3,(H,29,32)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...				Bioorg Med Chem Lett 29: 2700-2705 (2019) Article DOI: 10.1016/j.bmcl.2019.07.007 BindingDB Entry DOI: 10.7270/Q2FX7DTB
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