Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50273680'   

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 (Ovis aries (Sheep))	BDBM50273680 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(O)=O)n2)c1C Show InChI InChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(10(9)2)18-13-8-12(17)19-15(20-13)23-16(3,4)14(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
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