Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'fadaly' and Initial = 'wa'   

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 (Ovis aries (Sheep))	BDBM221998 (4-[3-(4-Chloro-phenyl)-5-(3,4,5-trimethoxy-phenyl)...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:15| Show InChI InChI=1S/C24H24ClN3O5S/c1-31-22-12-16(13-23(32-2)24(22)33-3)21-14-20(15-4-6-17(25)7-5-15)27-28(21)18-8-10-19(11-9-18)34(26,29)30/h4-13,21H,14H2,1-3H3,(H2,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222457 ((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(3,4,5-trimethox...) Show SMILES COc1cc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc(OC)c1OC |c:7| Show InChI InChI=1S/C25H22ClN3O6S/c1-33-21-13-15(14-22(34-2)23(21)35-3)12-20-25(30)29(18-8-10-19(11-9-18)36(27,31)32)24(28-20)16-4-6-17(26)7-5-16/h4-14H,1-3H3,(H2,27,31,32)/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM222002 (3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-1-(4-methan...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:15| Show InChI InChI=1S/C25H25ClN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222461 ((E)-4-[2-(4-Chloro-phenyl)-4-(4-nitrobenzylidene)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)[N+]([O-])=O)N=C1c1ccc(Cl)cc1 |c:26| Show InChI InChI=1S/C22H15ClN4O5S/c23-16-5-3-15(4-6-16)21-25-20(13-14-1-7-18(8-2-14)27(29)30)22(28)26(21)17-9-11-19(12-10-17)33(24,31)32/h1-13H,(H2,24,31,32)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222460 ((E)-4-[2-(4-Chlorophenyl)-4-(3,4-dimethoxybenzylid...) Show SMILES COc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1OC |c:8| Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-12-3-15(14-22(21)33-2)13-20-24(29)28(18-8-10-19(11-9-18)34(26,30)31)23(27-20)16-4-6-17(25)7-5-16/h3-14H,1-2H3,(H2,26,30,31)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134554 (CHEMBL3747206) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1 |c:12| Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)	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	560	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222458 ((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(4-trifluorometh...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)C(F)(F)F)N=C1c1ccc(Cl)cc1 |c:27| Show InChI InChI=1S/C23H15ClF3N3O3S/c24-17-7-3-15(4-8-17)21-29-20(13-14-1-5-16(6-2-14)23(25,26)27)22(31)30(21)18-9-11-19(12-10-18)34(28,32)33/h1-13H,(H2,28,32,33)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM54643 (4-[3-(4-Bromo-phenyl)-5-(4-methoxy-phenyl)-4,5-dih...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM222005 (3-(4-Bromo-phenyl)-1-(4-methanesulfonyl-phenyl)-5-...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C23H21BrN2O3S/c1-29-20-11-5-17(6-12-20)23-15-22(16-3-7-18(24)8-4-16)25-26(23)19-9-13-21(14-10-19)30(2,27)28/h3-14,23H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM54640 (4-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-di...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM221997 (4-[3-(4-Bromo-phenyl)-5-(3,4,5-trimethoxy-phenyl)-...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:15| Show InChI InChI=1S/C24H24BrN3O5S/c1-31-22-12-16(13-23(32-2)24(22)33-3)21-14-20(15-4-6-17(25)7-5-15)27-28(21)18-8-10-19(11-9-18)34(26,29)30/h4-13,21H,14H2,1-3H3,(H2,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	840	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222462 ((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					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	870	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM222000 (4-[3-(4-Chloro-phenyl)-5-(4-chloro-phenyl)-4,5-dih...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C21H17Cl2N3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222459 ((E)-4-[2-(4-Chlorophenyl)-4-(2,3-dimethoxybenzylid...) Show SMILES COc1cccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)c1OC |c:9| Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-5-3-4-16(22(21)33-2)14-20-24(29)28(18-10-12-19(13-11-18)34(26,30)31)23(27-20)15-6-8-17(25)9-7-15/h3-14H,1-2H3,(H2,26,30,31)/b20-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134572 (CHEMBL3746265) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1cccs1 |c:12| Show InChI InChI=1S/C20H16F3N3O2S2/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM222001 (3-(4-Bromo-phenyl)-1-(4-methanesulfonyl-phenyl)-5-...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Br)cc1 |c:15| Show InChI InChI=1S/C25H25BrN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222463 ((E)-4-[4-(4-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-5-1-14(2-6-16)13-20-22(28)27(18-9-11-19(12-10-18)31(25,29)30)21(26-20)15-3-7-17(24)8-4-15/h1-13H,(H2,25,29,30)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM221999 (4-[3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-4,5-dihy...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Br)cc1 |c:12| Show InChI InChI=1S/C21H17BrClN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134586 (CHEMBL3746730) Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)C(O)=O |c:12| Show InChI InChI=1S/C15H14N2O4S2/c1-23(20,21)11-6-4-10(5-7-11)17-13(14-3-2-8-22-14)9-12(16-17)15(18)19/h2-8,13H,9H2,1H3,(H,18,19)	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	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM222004 (3,5-Bis-(4-chloro-phenyl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C22H18Cl2N2O2S/c1-29(27,28)20-12-10-19(11-13-20)26-22(16-4-8-18(24)9-5-16)14-21(25-26)15-2-6-17(23)7-3-15/h2-13,22H,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134552 (CHEMBL3747437) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccco1 |c:12| Show InChI InChI=1S/C19H16ClN3O3S/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)	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	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134585 (CHEMBL3747566) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)C(O)=O |c:12| Show InChI InChI=1S/C14H13N3O4S2/c15-23(20,21)10-5-3-9(4-6-10)17-12(13-2-1-7-22-13)8-11(16-17)14(18)19/h1-7,12H,8H2,(H,18,19)(H2,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134573 (CHEMBL3745861) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccco1 |c:15| Show InChI InChI=1S/C22H23N3O6S/c1-28-20-11-14(12-21(29-2)22(20)30-3)18-13-17(19-5-4-10-31-19)24-25(18)15-6-8-16(9-7-15)32(23,26)27/h4-12,18H,13H2,1-3H3,(H2,23,26,27)	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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222464 ((E)-4-[2-(4-Chlorophenyl)-4-(4-methylbenzylidene)-...) Show SMILES Cc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1 |c:7| Show InChI InChI=1S/C23H18ClN3O3S/c1-15-2-4-16(5-3-15)14-21-23(28)27(19-10-12-20(13-11-19)31(25,29)30)22(26-21)17-6-8-18(24)9-7-17/h2-14H,1H3,(H2,25,29,30)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134551 (CHEMBL3747733) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccco1 |c:11| Show InChI InChI=1S/C20H19N3O4S/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)	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	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134584 (CHEMBL3746878) Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)C(O)=O |c:12| Show InChI InChI=1S/C15H14N2O5S/c1-23(20,21)11-6-4-10(5-7-11)17-13(14-3-2-8-22-14)9-12(16-17)15(18)19/h2-8,13H,9H2,1H3,(H,18,19)	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	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50134554 (CHEMBL3747206) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1 |c:12| Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134553 (CHEMBL3747306) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1cccs1 |c:12| Show InChI InChI=1S/C19H16ClN3O2S2/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)	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	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM222002 (3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-1-(4-methan...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:15| Show InChI InChI=1S/C25H25ClN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50134586 (CHEMBL3746730) Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)C(O)=O |c:12| Show InChI InChI=1S/C15H14N2O4S2/c1-23(20,21)11-6-4-10(5-7-11)17-13(14-3-2-8-22-14)9-12(16-17)15(18)19/h2-8,13H,9H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM222006 (3-(4-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-5...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:11| Show InChI InChI=1S/C23H21ClN2O3S/c1-29-20-11-5-17(6-12-20)23-15-22(16-3-7-18(24)8-4-16)25-26(23)19-9-13-21(14-10-19)30(2,27)28/h3-14,23H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM221998 (4-[3-(4-Chloro-phenyl)-5-(3,4,5-trimethoxy-phenyl)...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:15| Show InChI InChI=1S/C24H24ClN3O5S/c1-31-22-12-16(13-23(32-2)24(22)33-3)21-14-20(15-4-6-17(25)7-5-15)27-28(21)18-8-10-19(11-9-18)34(26,29)30/h4-13,21H,14H2,1-3H3,(H2,26,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134583 (CHEMBL3747612) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)C(O)=O |c:12| Show InChI InChI=1S/C14H13N3O5S/c15-23(20,21)10-5-3-9(4-6-10)17-12(13-2-1-7-22-13)8-11(16-17)14(18)19/h1-7,12H,8H2,(H,18,19)(H2,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134548 (CHEMBL3747568) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)c1ccco1 |c:12| Show InChI InChI=1S/C17H15N3O3S2/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)	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	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222460 ((E)-4-[2-(4-Chlorophenyl)-4-(3,4-dimethoxybenzylid...) Show SMILES COc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1OC |c:8| Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-12-3-15(14-22(21)33-2)13-20-24(29)28(18-8-10-19(11-9-18)34(26,30)31)23(27-20)16-4-6-17(25)7-5-16/h3-14H,1-2H3,(H2,26,30,31)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222002 (3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-1-(4-methan...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:15| Show InChI InChI=1S/C25H25ClN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134550 (CHEMBL3746930) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccco1 |c:12| Show InChI InChI=1S/C19H17N3O3S/c20-26(23,24)16-10-8-15(9-11-16)22-18(14-5-2-1-3-6-14)13-17(21-22)19-7-4-12-25-19/h1-12,18H,13H2,(H2,20,23,24)	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	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50134546 (CHEMBL3745732) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)c1ccco1 |c:12| Show InChI InChI=1S/C17H15N3O4S/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)	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	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM54659 (4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydro...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |c:11| Show InChI InChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222461 ((E)-4-[2-(4-Chloro-phenyl)-4-(4-nitrobenzylidene)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)[N+]([O-])=O)N=C1c1ccc(Cl)cc1 |c:26| Show InChI InChI=1S/C22H15ClN4O5S/c23-16-5-3-15(4-6-16)21-25-20(13-14-1-7-18(8-2-14)27(29)30)22(28)26(21)17-9-11-19(12-10-17)33(24,31)32/h1-13H,(H2,24,31,32)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222457 ((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(3,4,5-trimethox...) Show SMILES COc1cc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc(OC)c1OC |c:7| Show InChI InChI=1S/C25H22ClN3O6S/c1-33-21-13-15(14-22(34-2)23(21)35-3)12-20-25(30)29(18-8-10-19(11-9-18)36(27,31)32)24(28-20)16-4-6-17(26)7-5-16/h4-14H,1-3H3,(H2,27,31,32)/b20-12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50134552 (CHEMBL3747437) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccco1 |c:12| Show InChI InChI=1S/C19H16ClN3O3S/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) Article DOI: 10.1016/j.bmcl.2015.11.105 BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222005 (3-(4-Bromo-phenyl)-1-(4-methanesulfonyl-phenyl)-5-...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C23H21BrN2O3S/c1-29-20-11-5-17(6-12-20)23-15-22(16-3-7-18(24)8-4-16)25-26(23)19-9-13-21(14-10-19)30(2,27)28/h3-14,23H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222000 (4-[3-(4-Chloro-phenyl)-5-(4-chloro-phenyl)-4,5-dih...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C21H17Cl2N3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM54643 (4-[3-(4-Bromo-phenyl)-5-(4-methoxy-phenyl)-4,5-dih...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair

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