Compile Data Set for Download or QSAR

Found 17 hits of affinity data for UniProtKB/TrEMBL: O02768   

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 (Oryctolagus cuniculus)	BDBM50331901 (CHEMBL1289341 | E-5-Bromo-3-[[4-(methylsulfonyl)ph...) Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(Br)cc23)cc1 Show InChI InChI=1S/C16H12BrNO3S/c1-22(20,21)12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331890 (CHEMBL1290661 | E-5-Fluoro-3-[[4-(sulfamoyl)phenyl...) Show SMILES NS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(F)cc23)cc1 Show InChI InChI=1S/C15H11FN2O3S/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(5-2-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331900 (CHEMBL1289227 | E-6-Chloro-3-[[4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C16H12ClNO3S/c1-22(20,21)12-5-2-10(3-6-12)8-14-13-7-4-11(17)9-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of COX2 in rabbit whole blood assessed as reduction of LPS-induced PGE2 accumulation at 10 to 10000 nM preincubated with LPS followed by c...				Eur J Med Chem 171: 66-92 (2019) Article DOI: 10.1016/j.ejmech.2019.03.021 BindingDB Entry DOI: 10.7270/Q2X92FQN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331902 (CHEMBL1289342 | E-5-Nitro-3-[[4-(Methylsulfonyl)ph...) Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c1-24(22,23)12-5-2-10(3-6-12)8-14-13-9-11(18(20)21)4-7-15(13)17-16(14)19/h2-9H,1H3,(H,17,19)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331891 (CHEMBL1290662 | E-5-Chloro-3-[[4-(sulfamoyl)phenyl...) Show SMILES NS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C15H11ClN2O3S/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(5-2-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331895 (CHEMBL1289105 | E-5-Nitro-3-[[4-(sulfamoyl)phenyl]...) Show SMILES NS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H11N3O5S/c16-24(22,23)11-4-1-9(2-5-11)7-13-12-8-10(18(20)21)3-6-14(12)17-15(13)19/h1-8H,(H,17,19)(H2,16,22,23)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331898 (CHEMBL1289225 | E-5-Chloro-3-[[4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H12ClNO3S/c1-22(20,21)12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331896 (CHEMBL1289106 | E-3-[[4-(Methylsulfonyl)phenyl]met...) Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H13NO3S/c1-21(19,20)12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-10H,1H3,(H,17,18)/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331888 (5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydr...) Show SMILES NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12 Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331894 (CHEMBL1287841 | E-5-Bromo-3-[[4-(sulfamoyl)phenyl]...) Show SMILES NS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(Br)cc23)cc1 Show InChI InChI=1S/C15H11BrN2O3S/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(5-2-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331899 (CHEMBL1289226 | E-5-Methyl-3-[[4-(methylsulfonyl)p...) Show SMILES Cc1ccc2NC(=O)\C(=C\c3ccc(cc3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C17H15NO3S/c1-11-3-8-16-14(9-11)15(17(19)18-16)10-12-4-6-13(7-5-12)22(2,20)21/h3-10H,1-2H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331893 (CHEMBL1290780 | E-6-Chloro-3-[[4-(sulfamoyl)phenyl...) Show SMILES NS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C15H11ClN2O3S/c16-10-3-6-12-13(15(19)18-14(12)8-10)7-9-1-4-11(5-2-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331892 (CHEMBL1290779 | E-5-Methyl-3-[[4-(sulfamoyl)phenyl...) Show SMILES Cc1ccc2NC(=O)\C(=C\c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C16H14N2O3S/c1-10-2-7-15-13(8-10)14(16(19)18-15)9-11-3-5-12(6-4-11)22(17,20)21/h2-9H,1H3,(H,18,19)(H2,17,20,21)/b14-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331889 (CHEMBL1290660 | E-3-[[4-(Sulfamoyl)phenyl]methylen...) Show SMILES NS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C15H12N2O3S/c16-21(19,20)11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)(H2,16,19,20)/b13-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50331897 (CHEMBL1289107 | E-5-Fluoro-3-[[4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(F)cc23)cc1 Show InChI InChI=1S/C16H12FNO3S/c1-22(20,21)12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair