Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50045850'   

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))	BDBM50045850 (CHEMBL3309950) Show SMILES CN(C)c1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H31N5O5/c1-31(2)26-12-10-22(28(16-26)34(37)38)14-24-19-33(18-21-8-6-5-7-9-21)20-25(30(24)36)15-23-11-13-27(32(3)4)17-29(23)35(39)40/h5-17H,18-20H2,1-4H3/b24-14+,25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
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