Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50075668'   

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))	BDBM50075668 (2-(3H-1lambda*4*-Benzo[b]thiophen-2-yl)-3-(4-metha...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cc2ccccc2s1 |t:11| Show InChI InChI=1S/C20H16O3S2/c1-25(22,23)15-8-6-13(7-9-15)16-10-11-17(21)20(16)19-12-14-4-2-3-5-18(14)24-19/h2-9,12H,10-11H2,1H3	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human Prostaglandin G/H synthase 2 in transfected CHO cells.				J Med Chem 42: 1274-81 (1999) Article DOI: 10.1021/jm980642l BindingDB Entry DOI: 10.7270/Q21V5FNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50075668 (2-(3H-1lambda*4*-Benzo[b]thiophen-2-yl)-3-(4-metha...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cc2ccccc2s1 |t:11| Show InChI InChI=1S/C20H16O3S2/c1-25(22,23)15-8-6-13(7-9-15)16-10-11-17(21)20(16)19-12-14-4-2-3-5-18(14)24-19/h2-9,12H,10-11H2,1H3	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human Prostaglandin G/H synthase 2 in the human whole blood assay.				J Med Chem 42: 1274-81 (1999) Article DOI: 10.1021/jm980642l BindingDB Entry DOI: 10.7270/Q21V5FNB
					More data for this Ligand-Target Pair