Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50075652'   

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))	BDBM50075652 (2-(5-Chloro-pyridin-3-yl)-3-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cncc(Cl)c1 |t:11| Show InChI InChI=1S/C17H14ClNO3S/c1-23(21,22)14-4-2-11(3-5-14)15-6-7-16(20)17(15)12-8-13(18)10-19-9-12/h2-5,8-10H,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	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))	BDBM50075652 (2-(5-Chloro-pyridin-3-yl)-3-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cncc(Cl)c1 |t:11| Show InChI InChI=1S/C17H14ClNO3S/c1-23(21,22)14-4-2-11(3-5-14)15-6-7-16(20)17(15)12-8-13(18)10-19-9-12/h2-5,8-10H,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	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