Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50464838'   

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))	BDBM50464838 (CHEMBL4291293) Show SMILES COc1ccc(cc1OC)-c1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)on1 Show InChI InChI=1S/C26H20BrN3O4S/c1-32-23-12-7-16(13-24(23)33-2)22-14-19(34-29-22)15-35-26-28-21-6-4-3-5-20(21)25(31)30(26)18-10-8-17(27)9-11-18/h3-14H,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production using arachidonic acid as substrate by colorimetric method				Eur J Med Chem 144: 635-650 (2018) Article DOI: 10.1016/j.ejmech.2017.12.065 BindingDB Entry DOI: 10.7270/Q2FX7D4C
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