Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM185731'   

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 (Mus musculus (Mouse))	BDBM185731 (US9162979, 26-II) Show SMILES Cc1c(CC(=O)NCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN2O4S/c1-16-18(15-23(28)25-12-3-13-27)14-22(26(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)31(2,29)30/h4-11,14,27H,3,12-13,15H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM185731 (US9162979, 26-II) Show SMILES Cc1c(CC(=O)NCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN2O4S/c1-16-18(15-23(28)25-12-3-13-27)14-22(26(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)31(2,29)30/h4-11,14,27H,3,12-13,15H2,1-2H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	37
ROTTAPHARM BIOTECH S.R.L. US Patent					Assay Description The murine monocyte/macrophage cell line J774 is grown in Dulbecco's modified Eagle's medium (DMEM), enriched with glutamine (2 mM), HEPES (25 mM), p...				US Patent US9162979 (2015) BindingDB Entry DOI: 10.7270/Q23T9G01
					More data for this Ligand-Target Pair