Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50293280'   

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)	BDBM50293280 (3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...) Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse peritoneal macrophages				Bioorg Med Chem Lett 19: 2270-2 (2009) Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR
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