Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50044098   

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))	BDBM50001935 (CHEMBL3233601) Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50001936 (CHEMBL3233602) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H13ClN2O4S/c1-20-16(21)14(10-2-6-12(18)7-3-10)15(17(20)22)11-4-8-13(9-5-11)25(19,23)24/h2-9H,1H3,(H2,19,23,24)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50001934 (CHEMBL3233600) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H16N2O4S/c1-11-3-5-12(6-4-11)15-16(18(22)20(2)17(15)21)13-7-9-14(10-8-13)25(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50001936 (CHEMBL3233602) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H13ClN2O4S/c1-20-16(21)14(10-2-6-12(18)7-3-10)15(17(20)22)11-4-8-13(9-5-11)25(19,23)24/h2-9H,1H3,(H2,19,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50001933 (CHEMBL3233599) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C17H14N2O4S/c1-19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)12-7-9-13(10-8-12)24(18,22)23/h2-10H,1H3,(H2,18,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50001933 (CHEMBL3233599) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C17H14N2O4S/c1-19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)12-7-9-13(10-8-12)24(18,22)23/h2-10H,1H3,(H2,18,22,23)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50001935 (CHEMBL3233601) Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	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	53	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50001934 (CHEMBL3233600) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H16N2O4S/c1-11-3-5-12(6-4-11)15-16(18(22)20(2)17(15)21)13-7-9-14(10-8-13)25(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50001931 (CHEMBL3233597) Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C17H14N2O5S/c1-24-12-6-2-10(3-7-12)14-15(17(21)19-16(14)20)11-4-8-13(9-5-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50305810 (1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dion...) Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11| Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)12-8-6-11(7-9-12)14-13(15(19)18-16(14)20)10-4-2-1-3-5-10/h1-9H,(H2,17,21,22)(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50001930 (CHEMBL3233596) Show SMILES Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:8| Show InChI InChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50001933 (CHEMBL3233599) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C17H14N2O4S/c1-19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)12-7-9-13(10-8-12)24(18,22)23/h2-10H,1H3,(H2,18,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50001934 (CHEMBL3233600) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H16N2O4S/c1-11-3-5-12(6-4-11)15-16(18(22)20(2)17(15)21)13-7-9-14(10-8-13)25(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50001935 (CHEMBL3233601) Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50001936 (CHEMBL3233602) Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H13ClN2O4S/c1-20-16(21)14(10-2-6-12(18)7-3-10)15(17(20)22)11-4-8-13(9-5-11)25(19,23)24/h2-9H,1H3,(H2,19,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50001931 (CHEMBL3233597) Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C17H14N2O5S/c1-24-12-6-2-10(3-7-12)14-15(17(21)19-16(14)20)11-4-8-13(9-5-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50001930 (CHEMBL3233596) Show SMILES Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:8| Show InChI InChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50001932 (CHEMBL3233598) Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(Cl)cc1 |t:11| Show InChI InChI=1S/C16H11ClN2O4S/c17-11-5-1-9(2-6-11)13-14(16(21)19-15(13)20)10-3-7-12(8-4-10)24(18,22)23/h1-8H,(H2,18,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50305810 (1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dion...) Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11| Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)12-8-6-11(7-9-12)14-13(15(19)18-16(14)20)10-4-2-1-3-5-10/h1-9H,(H2,17,21,22)(H,18,19,20)	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	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50001932 (CHEMBL3233598) Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(Cl)cc1 |t:11| Show InChI InChI=1S/C16H11ClN2O4S/c17-11-5-1-9(2-6-11)13-14(16(21)19-15(13)20)10-3-7-12(8-4-10)24(18,22)23/h1-8H,(H2,18,22,23)(H,19,20,21)	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50001931 (CHEMBL3233597) Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C17H14N2O5S/c1-24-12-6-2-10(3-7-12)14-15(17(21)19-16(14)20)11-4-8-13(9-5-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50001932 (CHEMBL3233598) Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(Cl)cc1 |t:11| Show InChI InChI=1S/C16H11ClN2O4S/c17-11-5-1-9(2-6-11)13-14(16(21)19-15(13)20)10-3-7-12(8-4-10)24(18,22)23/h1-8H,(H2,18,22,23)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50001930 (CHEMBL3233596) Show SMILES Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:8| Show InChI InChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50305810 (1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dion...) Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11| Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)12-8-6-11(7-9-12)14-13(15(19)18-16(14)20)10-4-2-1-3-5-10/h1-9H,(H2,17,21,22)(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair