Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50326524'   

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))	BDBM50326524 (4-(4-(methylsulfonyl)phenyl)-4H-benzo[b]pyrrolo[1,...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1Oc2ccccc2-n2cccc12 Show InChI InChI=1S/C18H15NO3S/c1-23(20,21)14-10-8-13(9-11-14)18-16-6-4-12-19(16)15-5-2-3-7-17(15)22-18/h2-12,18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
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