Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM153287'   

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))	BDBM153287 (3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14| Show InChI InChI=1S/C24H21N3O3S/c1-28-15-7-8-17-18(12-15)16(9-10-22(17)29-2)20-13-19(26-27(20)24(25)31)23-11-14-5-3-4-6-21(14)30-23/h3-12,20H,13H2,1-2H3,(H2,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
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