Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'chen' and Initial = 'qh'   

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))	BDBM50375397 (CHEMBL262849) Show SMILES CS(=O)(=O)c1ccc(cc1)C#Cc1cccnc1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-8-6-12(7-9-14)4-5-13-3-2-10-15-11-13/h2-3,6-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 15: 6796-801 (2007) Article DOI: 10.1016/j.bmc.2007.07.021 BindingDB Entry DOI: 10.7270/Q28052B9
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Bioorg Med Chem 16: 3302-8 (2008) Article DOI: 10.1016/j.bmc.2007.12.006 BindingDB Entry DOI: 10.7270/Q2DN45XK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375406 (CHEMBL259429) Show SMILES Cc1cccnc1C#Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H12N2O2S/c1-11-3-2-10-16-14(11)9-6-12-4-7-13(8-5-12)19(15,17)18/h2-5,7-8,10H,1H3,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					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	70	n/a	n/a	n/a	n/a	8.0	37
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50374775 (CHEMBL260841) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(=O)OCCO[N+]([O-])=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C18H16BrNO7S/c1-28(24,25)16-8-2-13(3-9-16)12-17(14-4-6-15(19)7-5-14)18(21)26-10-11-27-20(22)23/h2-9,12H,10-11H2,1H3/b17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Bioorg Med Chem 16: 3302-8 (2008) Article DOI: 10.1016/j.bmc.2007.12.006 BindingDB Entry DOI: 10.7270/Q2DN45XK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22364 (1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...) Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22364 (1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...) Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 15-lipoxygenase obtained from soybean				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22351 (1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3	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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM22361 (1,3-Diarylprop-2-yn-1-one, 17a | 1-(furan-3-yl)-3-...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1 Show InChI InChI=1S/C14H10O4S/c1-19(16,17)13-5-2-11(3-6-13)4-7-14(15)12-8-9-18-10-12/h2-3,5-6,8-10H,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22351 (1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against ovine cyclooxygenase 2				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375403 (CHEMBL260944) Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccncc1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-5-3-2-4-13(14)7-6-12-8-10-15-11-9-12/h2-5,8-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50374768 (CHEMBL260539) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(=O)OCCO[N+]([O-])=O)c2ccccc2)cc1 Show InChI InChI=1S/C18H17NO7S/c1-27(23,24)16-9-7-14(8-10-16)13-17(15-5-3-2-4-6-15)18(20)25-11-12-26-19(21)22/h2-10,13H,11-12H2,1H3/b17-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Bioorg Med Chem 16: 3302-8 (2008) Article DOI: 10.1016/j.bmc.2007.12.006 BindingDB Entry DOI: 10.7270/Q2DN45XK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375401 (CHEMBL260943) Show SMILES CS(=O)(=O)c1cccc(c1)C#Cc1ccccn1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h2-7,10-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375405 (CHEMBL404928) Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccccn1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-8-3-2-6-12(14)9-10-13-7-4-5-11-15-13/h2-8,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22367 (1,3-Diarylprop-2-yn-1-one, 26b | 3-(4-methanesulfo...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-3,5-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	8.0	37
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50375403 (CHEMBL260944) Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccncc1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-5-3-2-4-13(14)7-6-12-8-10-15-11-9-12/h2-5,8-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50375405 (CHEMBL404928) Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccccn1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-8-3-2-6-12(14)9-10-13-7-4-5-11-15-13/h2-8,11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375395 (CHEMBL265444) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccccn1 Show InChI InChI=1S/C13H10N2O2S/c14-18(16,17)13-8-5-11(6-9-13)4-7-12-3-1-2-10-15-12/h1-3,5-6,8-10H,(H2,14,16,17)	PDB MMDB 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
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22365 (1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...) Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3	PDB MMDB 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
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 15-lipoxygenase obtained from soybean				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22356 (1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3	PDB MMDB 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
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 5-lipoxygenase obtained from potato				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22354 (1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3	PDB MMDB 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
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 5-lipoxygenase obtained from potato				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22365 (1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...) Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3	PDB MMDB 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
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22363 (1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...) Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12 Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM22356 (1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3	KEGG UniProtKB/TrEMBL 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
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM22354 (1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3	KEGG UniProtKB/TrEMBL 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
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM22348 (1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...) Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22354 (1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 15-lipoxygenase obtained from soybean				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375399 (CHEMBL262852) Show SMILES CS(=O)(=O)c1cccc(c1)C#Cc1ccncc1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-4-2-3-13(11-14)6-5-12-7-9-15-10-8-12/h2-4,7-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22348 (1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...) Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3	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	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22370 (1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...) Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O3S2/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3	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	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22354 (1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM22370 (1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...) Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O3S2/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375398 (CHEMBL408370) Show SMILES CS(=O)(=O)c1ccc(cc1)C#Cc1ccccn1 Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-9-6-12(7-10-14)5-8-13-4-2-3-11-15-13/h2-4,6-7,9-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem 15: 6796-801 (2007) Article DOI: 10.1016/j.bmc.2007.07.021 BindingDB Entry DOI: 10.7270/Q28052B9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem 16: 3302-8 (2008) Article DOI: 10.1016/j.bmc.2007.12.006 BindingDB Entry DOI: 10.7270/Q2DN45XK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	8.0	37
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22348 (1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...) Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22370 (1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...) Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O3S2/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50374775 (CHEMBL260841) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(=O)OCCO[N+]([O-])=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C18H16BrNO7S/c1-28(24,25)16-8-2-13(3-9-16)12-17(14-4-6-15(19)7-5-14)18(21)26-10-11-27-20(22)23/h2-9,12H,10-11H2,1H3/b17-12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem 16: 3302-8 (2008) Article DOI: 10.1016/j.bmc.2007.12.006 BindingDB Entry DOI: 10.7270/Q2DN45XK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50374770 (CHEMBL407035) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H13FO4S/c1-22(20,21)14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem 16: 3302-8 (2008) Article DOI: 10.1016/j.bmc.2007.12.006 BindingDB Entry DOI: 10.7270/Q2DN45XK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22352 (1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 5-lipoxygenase obtained from potato				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM22352 (1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3	KEGG UniProtKB/TrEMBL 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
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50375402 (CHEMBL404927) Show SMILES Cc1cccnc1C#Cc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C15H13NO2S/c1-12-6-5-11-16-14(12)10-9-13-7-3-4-8-15(13)19(2,17)18/h3-8,11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB 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	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Bioorg Med Chem 16: 3302-8 (2008) Article DOI: 10.1016/j.bmc.2007.12.006 BindingDB Entry DOI: 10.7270/Q2DN45XK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB 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	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	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	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	8.0	37
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22352 (1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3	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	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair

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