Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50014167'   

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 (Ovis aries (Sheep))	BDBM50014167 (CHEMBL3260864) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCNCC2)c(=S)o1 Show InChI InChI=1S/C20H21Cl2N5OS/c21-15-5-3-6-16(22)19(15)24-17-7-2-1-4-14(17)12-18-25-27(20(29)28-18)13-26-10-8-23-9-11-26/h1-7,23-24H,8-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
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