Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1/2' and Ligand = 'BDBM50472604'   

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 1/2 (RAT)	BDBM50472604 (CHEBI:35847 | CP-66,248 | Tenidap) Show SMILES NC(=O)N1C(=O)\C(=C(/O)c2cccs2)c2cc(Cl)ccc12 Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,18H,(H2,16,20)/b12-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
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