Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50397234'   

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))	BDBM50397234 (CHEMBL2172767) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(cc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C30H25N3O3S/c1-22-12-18-28(19-13-22)37(35,36)32-29(34)20-26-21-33(27-10-6-3-7-11-27)31-30(26)25-16-14-24(15-17-25)23-8-4-2-5-9-23/h2-19,21H,20H2,1H3,(H,32,34)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...				J Med Chem 55: 8958-62 (2012) Article DOI: 10.1021/jm3010543 BindingDB Entry DOI: 10.7270/Q20Z74FD
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