Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50424101'   

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))	BDBM50424101 (CHEMBL2315019) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)n1c2ccccc2c(=O)c2ccccc12 |r| Show InChI InChI=1S/C27H21NO3/c1-17(18-11-12-20-16-21(31-2)14-13-19(20)15-18)27(30)28-24-9-5-3-7-22(24)26(29)23-8-4-6-10-25(23)28/h3-17H,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				Bioorg Med Chem Lett 23: 163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.131 BindingDB Entry DOI: 10.7270/Q26T0NZ5
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