Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50068356'   

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 (Homo sapiens (Human))	BDBM50068356 (CHEMBL3402334) Show SMILES COc1ccc2cc(ccc2c1)C(C)c1nc2s\c(=C/c3ccc(Br)s3)c(=O)n2n1 Show InChI InChI=1S/C22H16BrN3O2S2/c1-12(13-3-4-15-10-16(28-2)6-5-14(15)9-13)20-24-22-26(25-20)21(27)18(30-22)11-17-7-8-19(23)29-17/h3-12H,1-2H3/b18-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 using PGH2 as substrate incubated for 10 mins prior to arachidonic acid addition measured after 2 mins by EIA				Bioorg Med Chem 23: 2518-28 (2015) Article DOI: 10.1016/j.bmc.2015.03.049 BindingDB Entry DOI: 10.7270/Q2862J5S
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