Compile Data Set for Download or QSAR

Found 287 hits with Last Name = 'chowdhury' and Initial = 'ma'   

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 (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	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by EIA				Bioorg Med Chem Lett 20: 5245-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.155 BindingDB Entry DOI: 10.7270/Q2RX9C9R
					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	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human COX2 by enzyme immunoassay				Bioorg Med Chem Lett 20: 4544-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8
					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 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))	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
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 (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 Inibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem Lett 18: 6138-41 (2008) Article DOI: 10.1016/j.bmcl.2008.10.009 BindingDB Entry DOI: 10.7270/Q2SF2W16
					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 immuno assay				Bioorg Med Chem 16: 9694-8 (2008) Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK
					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 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 (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	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 21: 3951-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.017 BindingDB Entry DOI: 10.7270/Q2J103HW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	100	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 Lett 19: 3014-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.059 BindingDB Entry DOI: 10.7270/Q2CR5T81
					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 (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	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay				Bioorg Med Chem 17: 5182-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V
					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	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay				J Med Chem 52: 1525-9 (2009) Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H
					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	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 19: 584-8 (2009) Article DOI: 10.1016/j.bmcl.2008.12.066 BindingDB Entry DOI: 10.7270/Q22R3RJ7
					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	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay				Bioorg Med Chem Lett 20: 1324-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX-1				J Med Chem 54: 1356-64 (2011) Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB
					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 1 (Ovis aries (Sheep))	BDBM50339185 ((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r| Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents 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 COX-1				J Med Chem 54: 1356-64 (2011) Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50248696 (1-(4-Methanesulfonylphenyl)-5-(2-chloropyridin-4-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccnc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)12-4-2-11(3-5-12)23-13(9-14(22-23)16(18,19)20)10-6-7-21-15(17)8-10/h2-9H,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	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay				J Med Chem 52: 1525-9 (2009) Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H
					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))	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
Lipoxygenase (Solanum tuberosum (potato))	BDBM50303170 (CHEMBL579022 | N-Acetyl-5-(N-difluoromethyl-1,2-di...) Show SMILES CC(=O)NS(=O)(=O)c1cc(ccc1C(O)=O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C15H12F2N2O6S/c1-8(20)18-26(24,25)12-6-9(2-3-11(12)14(22)23)10-4-5-19(15(16)17)13(21)7-10/h2-7,15H,1H3,(H,18,20)(H,22,23)	KEGG UniProtKB/TrEMBL 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 potato 5-LOX after 5 mins by enzyme immuno assay				Bioorg Med Chem Lett 19: 6855-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.083 BindingDB Entry DOI: 10.7270/Q2D79CB6
					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	300	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: 9694-8 (2008) Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK
					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	300	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 Lett 20: 1324-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV
					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
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	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of sheep COX1 by enzyme immunoassay				Bioorg Med Chem Lett 20: 4544-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8
					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	300	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 17: 5182-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V
					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	300	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 Lett 19: 3014-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.059 BindingDB Entry DOI: 10.7270/Q2CR5T81
					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
Lipoxygenase (Solanum tuberosum (potato))	BDBM50303169 (CHEMBL571852 | N-Acetyl-4-(N-difluoromethyl-1,2-di...) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1C(O)=O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C15H12F2N2O6S/c1-8(20)18-26(24,25)12-3-2-9(6-11(12)14(22)23)10-4-5-19(15(16)17)13(21)7-10/h2-7,15H,1H3,(H,18,20)(H,22,23)	KEGG UniProtKB/TrEMBL 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 Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay				Bioorg Med Chem Lett 19: 6855-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.083 BindingDB Entry DOI: 10.7270/Q2D79CB6
					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 (Bos taurus)	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 MMDB Reactome pathway 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 bovine COX-1 by enzyme immuno assay				Bioorg Med Chem Lett 19: 6855-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.083 BindingDB Entry DOI: 10.7270/Q2D79CB6
					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	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem Lett 19: 584-8 (2009) Article DOI: 10.1016/j.bmcl.2008.12.066 BindingDB Entry DOI: 10.7270/Q22R3RJ7
					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 Lett 18: 6138-41 (2008) Article DOI: 10.1016/j.bmcl.2008.10.009 BindingDB Entry DOI: 10.7270/Q2SF2W16
					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
Lipoxygenase (Solanum tuberosum (potato))	BDBM50303172 (5-(N-Difluoromethyl-1,2-dihydropyrid-2-one-4-yl)sa...) Show SMILES OC(=O)c1cc(ccc1O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C13H9F2NO4/c14-13(15)16-4-3-8(6-11(16)18)7-1-2-10(17)9(5-7)12(19)20/h1-6,13,17H,(H,19,20)	KEGG UniProtKB/TrEMBL 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 potato 5-LOX after 5 mins by enzyme immuno assay				Bioorg Med Chem Lett 19: 6855-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.083 BindingDB Entry DOI: 10.7270/Q2D79CB6
					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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50339180 (2-{2-[1-(4-Chlorobenzoyl)-2-methyl-5-methoxyl-1H-i...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCCS(=O)(=O)NO)c2c1 Show InChI InChI=1S/C21H21ClN2O7S/c1-13-17(12-20(25)31-9-10-32(28,29)23-27)18-11-16(30-2)7-8-19(18)24(13)21(26)14-3-5-15(22)6-4-14/h3-8,11,23,27H,9-10,12H2,1-2H3	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	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2				J Med Chem 54: 1356-64 (2011) Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB
					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 (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	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 21: 3951-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.017 BindingDB Entry DOI: 10.7270/Q2J103HW
					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 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))	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)

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