Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 531.6 BDBM50430943

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

Found 2 hits 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))	BDBM50430943 (CHEMBL2336515) Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nc1-c1ccc(OC)cc1 Show InChI InChI=1S/C32H25N3O3S/c1-37-25-12-7-20(8-13-25)30-31(21-9-14-26(38-2)15-10-21)34-35-32(33-30)39-19-29(36)23-11-16-28-24(18-23)17-22-5-3-4-6-27(22)28/h3-16,18H,17,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of full-length microsomal PGES-1 (unknown origin) expressed in Escherichia coli Rosetta(DE3) using PGH2 as substrate assessed as inhibitio...				J Med Chem 56: 3296-309 (2013) Article DOI: 10.1021/jm301900x BindingDB Entry DOI: 10.7270/Q2TB188S
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50430943 (CHEMBL2336515) Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nc1-c1ccc(OC)cc1 Show InChI InChI=1S/C32H25N3O3S/c1-37-25-12-7-20(8-13-25)30-31(21-9-14-26(38-2)15-10-21)34-35-32(33-30)39-19-29(36)23-11-16-28-24(18-23)17-22-5-3-4-6-27(22)28/h3-16,18H,17,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of PGES-1 in human whole blood assessed as LPS-induced PGE2 formation incubated for 15 mins prior to LPS addition measured after 24 hrs by...				J Med Chem 56: 3296-309 (2013) Article DOI: 10.1021/jm301900x BindingDB Entry DOI: 10.7270/Q2TB188S
					More data for this Ligand-Target Pair