Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50168776'   

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))	BDBM50168776 (3-(5-(2'-chloro-2-fluorobiphenyl-4-yl)-1-(4-chloro...) Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1Cl Show InChI InChI=1S/C33H28Cl2FNO2/c1-20-27-16-22(23-10-14-26(29(36)17-23)25-6-4-5-7-28(25)35)11-15-30(27)37(19-21-8-12-24(34)13-9-21)31(20)18-33(2,3)32(38)39/h4-17H,18-19H2,1-3H3,(H,38,39)	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
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
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