Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50308740'   

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 G/H synthase 1 (Mus musculus)	BDBM50308740 (CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
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