Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50033277'   

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))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX-2 in human 1483 cells by cell-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair