Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50499271'   

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))	BDBM50499271 (CHEMBL3736245) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C24H22N2O5S/c1-31-20-11-5-17(6-12-20)23-15-22(16-7-13-21(14-8-16)32(2,29)30)25-26(23)19-9-3-18(4-10-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)	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	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 preincubated for 2 mins prior to arachidonic acid addition by enzyme immuno assay				Bioorg Med Chem Lett 25: 5787-91 (2015) Article DOI: 10.1016/j.bmcl.2015.10.047 BindingDB Entry DOI: 10.7270/Q2P2724S
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