Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM31132'   

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))	BDBM31132 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11k) Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-8-3-4-9-15(14)20(16)23-19(18)12-6-5-7-13(22)10-12/h3-11,23-24H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi della Campania Luigi Vanvitelli Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in microsomal membranes isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by PGH2 addition m...				Eur J Med Chem 155: 946-960 (2018) Article DOI: 10.1016/j.ejmech.2018.05.041 BindingDB Entry DOI: 10.7270/Q2WM1H3T
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM31132 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11k) Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-8-3-4-9-15(14)20(16)23-19(18)12-6-5-7-13(22)10-12/h3-11,23-24H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...				Bioorg Med Chem 23: 4839-45 (2015) Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM31132 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11k) Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-8-3-4-9-15(14)20(16)23-19(18)12-6-5-7-13(22)10-12/h3-11,23-24H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2				Bioorg Med Chem 17: 7924-32 (2009) Article DOI: 10.1016/j.bmc.2009.10.025 BindingDB Entry DOI: 10.7270/Q25T3KK7
					More data for this Ligand-Target Pair