Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM222444'   

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 2 (Ovis aries (Sheep))	BDBM222444 (3-Chloro-N-[5-(3,4-dimethoxybenzylidene)-4-oxo-2-t...) Show SMILES COc1ccc(\C=C2/SC(=S)N(NC(=O)c3sc4ccccc4c3Cl)C2=O)cc1OC Show InChI InChI=1S/C21H15ClN2O4S3/c1-27-13-8-7-11(9-14(13)28-2)10-16-20(26)24(21(29)31-16)23-19(25)18-17(22)12-5-3-4-6-15(12)30-18/h3-10H,1-2H3,(H,23,25)/b16-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University					Assay Description All the newly synthesized compounds were screened for their ability to inhibit COX-1 and COX-2 enzymes. This was carried out using Cayman colorimetri...				Bioorg Chem 72: 102-115 (2017) Article DOI: 10.1016/j.bioorg.2017.03.012 BindingDB Entry DOI: 10.7270/Q2W9581F
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