Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50131587'   

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))	BDBM50131587 (CHEMBL324048 | {2-Chloro-4-[5-chloro-3-(4-methanes...) Show SMILES CN(C)c1ccc(cc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17Cl2N3O2S/c1-22(2)16-9-4-12(10-15(16)19)17-18(20)21-11-23(17)13-5-7-14(8-6-13)26(3,24)25/h4-11H,1-3H3	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Domp&egrove; pha.r.ma s.p.a. Curated by ChEMBL					Assay Description In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined				J Med Chem 46: 3463-75 (2003) Article DOI: 10.1021/jm030765s BindingDB Entry DOI: 10.7270/Q2HQ3Z98
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