Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50075516'   

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 (Mus musculus (Mouse))	BDBM50075516 (2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...) Show SMILES CC(C)(C)c1cc(C=C2SC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15| Show InChI InChI=1S/C21H28N2O3S/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50075516 (2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...) Show SMILES CC(C)(C)c1cc(C=C2SC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15| Show InChI InChI=1S/C21H28N2O3S/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against recombinant human Prostaglandin G/H synthase 2				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair