Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 2652   

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 1 (Ovis aries (Sheep))	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	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	40	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22955 (4-methoxyphenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-...) Show SMILES COc1ccc(OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1 Show InChI InChI=1S/C26H22ClNO5/c1-16-22(15-25(29)33-20-10-8-19(31-2)9-11-20)23-14-21(32-3)12-13-24(23)28(16)26(30)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22967 (2-phenylethyl 2-{1-[(4-chlorophenyl)carbonyl]-5-me...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCCc3ccccc3)c2c1 Show InChI InChI=1S/C27H24ClNO4/c1-18-23(17-26(30)33-15-14-19-6-4-3-5-7-19)24-16-22(32-2)12-13-25(24)29(18)27(31)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3	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	50	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	50	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	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	50	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22959 (CHEMBL96954 | Indomethacin derivative, 12 | pyridi...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3cccnc3)c2c1 Show InChI InChI=1S/C24H19ClN2O4/c1-15-20(13-23(28)31-19-4-3-11-26-14-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22955 (4-methoxyphenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-...) Show SMILES COc1ccc(OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1 Show InChI InChI=1S/C26H22ClNO5/c1-16-22(15-25(29)33-20-10-8-19(31-2)9-11-20)23-14-21(32-3)12-13-24(23)28(16)26(30)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description Inhibition assays in triplicate were performed by preincubating enzyme (60-80 nM) and inhibitors (0-5 mM) for 20 min at 25°C followed by the add...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22962 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3)c2c1 Show InChI InChI=1S/C24H20ClN3O3/c1-15-20(13-23(29)27-18-4-3-11-26-14-18)21-12-19(31-2)9-10-22(21)28(15)24(30)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22966 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3ccccc3)c2c1 Show InChI InChI=1S/C27H25ClN2O3/c1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22957 (2-(methylsulfanyl)phenyl 2-{1-[(4-chlorophenyl)car...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccccc3SC)c2c1 Show InChI InChI=1S/C26H22ClNO4S/c1-16-20(15-25(29)32-23-6-4-5-7-24(23)33-3)21-14-19(31-2)12-13-22(21)28(16)26(30)17-8-10-18(27)11-9-17/h4-14H,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22961 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(F)cc3)c2c1 Show InChI InChI=1S/C25H20ClFN2O3/c1-15-21(14-24(30)28-19-9-7-18(27)8-10-19)22-13-20(32-2)11-12-23(22)29(15)25(31)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22973 (CHEMBL149213 | Meclofenamic acid derivative, 25 | ...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl Show InChI InChI=1S/C17H17Cl3N2O/c1-11-7-8-13(19)16(15(11)20)22-14-6-3-2-5-12(14)17(23)21-10-4-9-18/h2-3,5-8,22H,4,9-10H2,1H3,(H,21,23)	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	60	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22979 (CHEMBL148629 | Meclofenamic acid derivative, 31 | ...) Show SMILES COC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl Show InChI InChI=1S/C17H16Cl2N2O3/c1-10-7-8-12(18)16(15(10)19)21-13-6-4-3-5-11(13)17(23)20-9-14(22)24-2/h3-8,21H,9H2,1-2H3,(H,20,23)	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	70	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22958 (4-fluorophenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-m...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(F)cc3)c2c1 Show InChI InChI=1S/C25H19ClFNO4/c1-15-21(14-24(29)32-19-9-7-18(27)8-10-19)22-13-20(31-2)11-12-23(22)28(15)25(30)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22954 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c2c1 Show InChI InChI=1S/C27H24ClN3O4/c1-16-23(15-26(33)30-21-10-8-20(9-11-21)29-17(2)32)24-14-22(35-3)12-13-25(24)31(16)27(34)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22960 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(SC)cc3)c2c1 Show InChI InChI=1S/C26H23ClN2O3S/c1-16-22(15-25(30)28-19-8-11-21(33-3)12-9-19)23-14-20(32-2)10-13-24(23)29(16)26(31)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	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	130	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description Inhibition assays in triplicate were performed by preincubating enzyme (60-80 nM) and inhibitors (0-5 mM) for 20 min at 25°C followed by the add...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22975 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-phenox...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl Show InChI InChI=1S/C22H20Cl2N2O2/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-13-14-28-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)	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	150	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22977 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-[(4-nitro...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccc(cc2)[N+]([O-])=O)c1Cl Show InChI InChI=1S/C21H17Cl2N3O4/c1-13-6-11-17(22)20(19(13)23)24-18-5-3-2-4-16(18)21(27)25-30-12-14-7-9-15(10-8-14)26(28)29/h2-11,24H,12H2,1H3,(H,25,27)	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	200	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	210	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description Inhibition assays in triplicate were performed by preincubating enzyme (60-80 nM) and inhibitors (0-5 mM) for 20 min at 25°C followed by the add...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22952 (CHEMBL73572 | Indomethacin derivative, 5 | methyl ...) Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22953 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22966 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3ccccc3)c2c1 Show InChI InChI=1S/C27H25ClN2O3/c1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description Inhibition assays in triplicate were performed by preincubating enzyme (60-80 nM) and inhibitors (0-5 mM) for 20 min at 25°C followed by the add...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22980 (2-({2-[(2,6-dichloro-3-methylphenyl)amino]phenyl}f...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(O)=O)c1Cl Show InChI InChI=1S/C16H14Cl2N2O3/c1-9-6-7-11(17)15(14(9)18)20-12-5-3-2-4-10(12)16(23)19-8-13(21)22/h2-7,20H,8H2,1H3,(H,19,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22956 (4-(methylsulfanyl)phenyl 2-{1-[(4-chlorophenyl)car...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(SC)cc3)c2c1 Show InChI InChI=1S/C26H22ClNO4S/c1-16-22(15-25(29)32-19-8-11-21(33-3)12-9-19)23-14-20(31-2)10-13-24(23)28(16)26(30)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22980 (2-({2-[(2,6-dichloro-3-methylphenyl)amino]phenyl}f...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(O)=O)c1Cl Show InChI InChI=1S/C16H14Cl2N2O3/c1-9-6-7-11(17)15(14(9)18)20-12-5-3-2-4-10(12)16(23)19-8-13(21)22/h2-7,20H,8H2,1H3,(H,19,23)(H,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	400	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22975 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-phenox...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl Show InChI InChI=1S/C22H20Cl2N2O2/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-13-14-28-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description Inhibition assays in triplicate were performed by preincubating enzyme (60-80 nM) and inhibitors (0-5 mM) for 20 min at 25°C followed by the add...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22974 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-hydrox...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl Show InChI InChI=1S/C16H16Cl2N2O2/c1-10-6-7-12(17)15(14(10)18)20-13-5-3-2-4-11(13)16(22)19-8-9-21/h2-7,20-21H,8-9H2,1H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22951 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C20H19ClN2O3/c1-12-16(11-19(24)22-2)17-10-15(26-3)8-9-18(17)23(12)20(25)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22965 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(N)=O)c2c1 Show InChI InChI=1S/C19H17ClN2O3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	750	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22974 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-hydrox...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl Show InChI InChI=1S/C16H16Cl2N2O2/c1-10-6-7-12(17)15(14(10)18)20-13-5-3-2-4-11(13)16(22)19-8-9-21/h2-7,20-21H,8-9H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22976 (CHEMBL358222 | Meclofenamic acid derivative, 28 | ...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccccc2)c1Cl Show InChI InChI=1S/C21H18Cl2N2O2/c1-14-11-12-17(22)20(19(14)23)24-18-10-6-5-9-16(18)21(26)25-27-13-15-7-3-2-4-8-15/h2-12,24H,13H2,1H3,(H,25,26)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22979 (CHEMBL148629 | Meclofenamic acid derivative, 31 | ...) Show SMILES COC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl Show InChI InChI=1S/C17H16Cl2N2O3/c1-10-7-8-12(18)16(15(10)19)21-13-6-4-3-5-11(13)17(23)20-9-14(22)24-2/h3-8,21H,9H2,1-2H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD 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	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22973 (CHEMBL149213 | Meclofenamic acid derivative, 25 | ...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl Show InChI InChI=1S/C17H17Cl3N2O/c1-11-7-8-13(19)16(15(11)20)22-14-6-3-2-5-12(14)17(23)21-10-4-9-18/h2-3,5-8,22H,4,9-10H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22959 (CHEMBL96954 | Indomethacin derivative, 12 | pyridi...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3cccnc3)c2c1 Show InChI InChI=1S/C24H19ClN2O4/c1-15-20(13-23(28)31-19-4-3-11-26-14-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22970 (2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H...) Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H18BrNO3/c1-12-16(10-19(22)23)17-9-15(24-2)7-8-18(17)21(12)11-13-3-5-14(20)6-4-13/h3-9H,10-11H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22956 (4-(methylsulfanyl)phenyl 2-{1-[(4-chlorophenyl)car...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(SC)cc3)c2c1 Show InChI InChI=1S/C26H22ClNO4S/c1-16-22(15-25(29)32-19-8-11-21(33-3)12-9-19)23-14-20(31-2)10-13-24(23)28(16)26(30)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22958 (4-fluorophenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-m...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(F)cc3)c2c1 Show InChI InChI=1S/C25H19ClFNO4/c1-15-21(14-24(29)32-19-9-7-18(27)8-10-19)22-13-20(31-2)11-12-23(22)28(15)25(30)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22970 (2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H...) Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H18BrNO3/c1-12-16(10-19(22)23)17-9-15(24-2)7-8-18(17)21(12)11-13-3-5-14(20)6-4-13/h3-9H,10-11H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description Inhibition assays in triplicate were performed by preincubating enzyme (60-80 nM) and inhibitors (0-5 mM) for 20 min at 25°C followed by the add...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22978 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-phenyl...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCc2ccccc2)c1Cl Show InChI InChI=1S/C22H20Cl2N2O/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-14-13-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22978 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-phenyl...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCc2ccccc2)c1Cl Show InChI InChI=1S/C22H20Cl2N2O/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-14-13-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22972 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-methylben...) Show SMILES CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl Show InChI InChI=1S/C15H14Cl2N2O/c1-9-7-8-11(16)14(13(9)17)19-12-6-4-3-5-10(12)15(20)18-2/h3-8,19H,1-2H3,(H,18,20)	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22963 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCCCC3)c2c1 Show InChI InChI=1S/C24H25ClN2O3/c1-16-20(15-23(28)26-12-4-3-5-13-26)21-14-19(30-2)10-11-22(21)27(16)24(29)17-6-8-18(25)9-7-17/h6-11,14H,3-5,12-13,15H2,1-2H3	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	>1.65E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22964 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(C)CCc3ccccc3)c2c1 Show InChI InChI=1S/C28H27ClN2O3/c1-19-24(18-27(32)30(2)16-15-20-7-5-4-6-8-20)25-17-23(34-3)13-14-26(25)31(19)28(33)21-9-11-22(29)12-10-21/h4-14,17H,15-16,18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.65E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22972 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-methylben...) Show SMILES CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl Show InChI InChI=1S/C15H14Cl2N2O/c1-9-7-8-11(16)14(13(9)17)19-12-6-4-3-5-10(12)15(20)18-2/h3-8,19H,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22965 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(N)=O)c2c1 Show InChI InChI=1S/C19H17ClN2O3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H2,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22952 (CHEMBL73572 | Indomethacin derivative, 5 | methyl ...) Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22977 (2-[(2,6-dichloro-3-methylphenyl)amino]-N-[(4-nitro...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccc(cc2)[N+]([O-])=O)c1Cl Show InChI InChI=1S/C21H17Cl2N3O4/c1-13-6-11-17(22)20(19(13)23)24-18-5-3-2-4-16(18)21(27)25-30-12-14-7-9-15(10-8-14)26(28)29/h2-11,24H,12H2,1H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22970 (2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H...) Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H18BrNO3/c1-12-16(10-19(22)23)17-9-15(24-2)7-8-18(17)21(12)11-13-3-5-14(20)6-4-13/h3-9H,10-11H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.60E+4	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 68 total )  |  Next  |  Last  >>

Jump to: