Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'velázquez-martínez' and Initial = 'ca'   

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 (Homo sapiens (Human))	BDBM50365267 (CHEMBL1958349) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Oc1ccc(CCO)cc1 Show InChI InChI=1S/C21H26O3/c1-15(2)14-18-4-8-19(9-5-18)16(3)21(23)24-20-10-6-17(7-11-20)12-13-22/h4-11,15-16,22H,12-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	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				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM13065 (5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50365266 (CHEMBL1958348) Show SMILES CC(=O)Oc1ccccc1C(=O)Oc1ccc(CCO)cc1 Show InChI InChI=1S/C17H16O5/c1-12(19)21-16-5-3-2-4-15(16)17(20)22-14-8-6-13(7-9-14)10-11-18/h2-9,18H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					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	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				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					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				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50365266 (CHEMBL1958348) Show SMILES CC(=O)Oc1ccccc1C(=O)Oc1ccc(CCO)cc1 Show InChI InChI=1S/C17H16O5/c1-12(19)21-16-5-3-2-4-15(16)17(20)22-14-8-6-13(7-9-14)10-11-18/h2-9,18H,10-11H2,1H3	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	380	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				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381251 (CHEMBL2018668) Show SMILES CCn1c(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)n[nH]c1=S Show InChI InChI=1S/C18H18N6O2S/c1-3-23-14(19-20-18(23)27)10-24-17(25)15-11(2)22-26-16(15)13(21-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,20,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381256 (CHEMBL2018673) Show SMILES COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3C)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C18H18N6O3S/c1-10-15-16(27-22-10)13(8-11-4-6-12(26-3)7-5-11)21-24(17(15)25)9-14-19-20-18(28)23(14)2/h4-7H,8-9H2,1-3H3,(H,20,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381257 (CHEMBL2018674) Show SMILES CCn1c(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)n[nH]c1=S Show InChI InChI=1S/C19H20N6O3S/c1-4-24-15(20-21-19(24)29)10-25-18(26)16-11(2)23-28-17(16)14(22-25)9-12-5-7-13(27-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,21,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.40E+3	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				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50365268 (CHEMBL1958350) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(CCO)cc3)c2c1 Show InChI InChI=1S/C27H24ClNO5/c1-17-23(16-26(31)34-21-9-3-18(4-10-21)13-14-30)24-15-22(33-2)11-12-25(24)29(17)27(32)19-5-7-20(28)8-6-19/h3-12,15,30H,13-14,16H2,1-2H3	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	4.60E+3	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				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381253 (CHEMBL2018670) Show SMILES Cc1noc2c(Cc3ccc(cc3)[N+]([O-])=O)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 Show InChI InChI=1S/C17H15N7O4S/c1-9-14-15(28-21-9)12(7-10-3-5-11(6-4-10)24(26)27)20-23(16(14)25)8-13-18-19-17(29)22(13)2/h3-6H,7-8H2,1-2H3,(H,19,29)	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381250 (CHEMBL2018667) Show SMILES Cc1noc2c(Cc3ccccc3)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 Show InChI InChI=1S/C17H16N6O2S/c1-10-14-15(25-21-10)12(8-11-6-4-3-5-7-11)20-23(16(14)24)9-13-18-19-17(26)22(13)2/h3-7H,8-9H2,1-2H3,(H,19,26)	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					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	5.70E+3	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				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381244 (CHEMBL2018565) Show SMILES CNc1nnc(Cn2nc(Cc3ccc(cc3)[N+]([O-])=O)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C17H15N7O4S/c1-9-14-15(28-22-9)12(7-10-3-5-11(6-4-10)24(26)27)21-23(16(14)25)8-13-19-20-17(18-2)29-13/h3-6H,7-8H2,1-2H3,(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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381251 (CHEMBL2018668) Show SMILES CCn1c(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)n[nH]c1=S Show InChI InChI=1S/C18H18N6O2S/c1-3-23-14(19-20-18(23)27)10-24-17(25)15-11(2)22-26-16(15)13(21-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,20,27)	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381250 (CHEMBL2018667) Show SMILES Cc1noc2c(Cc3ccccc3)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 Show InChI InChI=1S/C17H16N6O2S/c1-10-14-15(25-21-10)12(8-11-6-4-3-5-7-11)20-23(16(14)24)9-13-18-19-17(26)22(13)2/h3-7H,8-9H2,1-2H3,(H,19,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50365267 (CHEMBL1958349) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Oc1ccc(CCO)cc1 Show InChI InChI=1S/C21H26O3/c1-15(2)14-18-4-8-19(9-5-18)16(3)21(23)24-20-10-6-17(7-11-20)12-13-22/h4-11,15-16,22H,12-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381254 (CHEMBL2018671) Show SMILES CCn1c(Cn2nc(Cc3ccc(cc3)[N+]([O-])=O)c3onc(C)c3c2=O)n[nH]c1=S Show InChI InChI=1S/C18H17N7O4S/c1-3-23-14(19-20-18(23)30)9-24-17(26)15-10(2)22-29-16(15)13(21-24)8-11-4-6-12(7-5-11)25(27)28/h4-7H,3,8-9H2,1-2H3,(H,20,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381240 (CHEMBL2018675) Show SMILES COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C23H20N6O3S/c1-14-20-21(32-27-14)18(12-15-8-10-17(31-2)11-9-15)26-28(22(20)30)13-19-24-25-23(33)29(19)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,25,33)	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	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381243 (CHEMBL2016598) Show SMILES Cc1noc2c(Cc3ccccc3)nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c12 Show InChI InChI=1S/C22H18N6O2S/c1-14-19-20(30-27-14)17(12-15-8-4-2-5-9-15)26-28(21(19)29)13-18-24-25-22(31-18)23-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381247 (CHEMBL2018568) Show SMILES CNc1nnc(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C18H18N6O3S/c1-10-15-16(27-23-10)13(8-11-4-6-12(26-3)7-5-11)22-24(17(15)25)9-14-20-21-18(19-2)28-14/h4-7H,8-9H2,1-3H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381247 (CHEMBL2018568) Show SMILES CNc1nnc(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C18H18N6O3S/c1-10-15-16(27-23-10)13(8-11-4-6-12(26-3)7-5-11)22-24(17(15)25)9-14-20-21-18(19-2)28-14/h4-7H,8-9H2,1-3H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381257 (CHEMBL2018674) Show SMILES CCn1c(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)n[nH]c1=S Show InChI InChI=1S/C19H20N6O3S/c1-4-24-15(20-21-19(24)29)10-25-18(26)16-11(2)23-28-17(16)14(22-25)9-12-5-7-13(27-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,21,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381241 (CHEMBL2018563) Show SMILES CNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C17H16N6O2S/c1-10-14-15(25-22-10)12(8-11-6-4-3-5-7-11)21-23(16(14)24)9-13-19-20-17(18-2)26-13/h3-7H,8-9H2,1-2H3,(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	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381256 (CHEMBL2018673) Show SMILES COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3C)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C18H18N6O3S/c1-10-15-16(27-22-10)13(8-11-4-6-12(26-3)7-5-11)21-24(17(15)25)9-14-19-20-18(28)23(14)2/h4-7H,8-9H2,1-3H3,(H,20,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381245 (CHEMBL2018566) Show SMILES CCNc1nnc(Cn2nc(Cc3ccc(cc3)[N+]([O-])=O)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C18H17N7O4S/c1-3-19-18-21-20-14(30-18)9-24-17(26)15-10(2)23-29-16(15)13(22-24)8-11-4-6-12(7-5-11)25(27)28/h4-7H,3,8-9H2,1-2H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381245 (CHEMBL2018566) Show SMILES CCNc1nnc(Cn2nc(Cc3ccc(cc3)[N+]([O-])=O)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C18H17N7O4S/c1-3-19-18-21-20-14(30-18)9-24-17(26)15-10(2)23-29-16(15)13(22-24)8-11-4-6-12(7-5-11)25(27)28/h4-7H,3,8-9H2,1-2H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381253 (CHEMBL2018670) Show SMILES Cc1noc2c(Cc3ccc(cc3)[N+]([O-])=O)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 Show InChI InChI=1S/C17H15N7O4S/c1-9-14-15(28-21-9)12(7-10-3-5-11(6-4-10)24(26)27)20-23(16(14)25)8-13-18-19-17(29)22(13)2/h3-6H,7-8H2,1-2H3,(H,19,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381244 (CHEMBL2018565) Show SMILES CNc1nnc(Cn2nc(Cc3ccc(cc3)[N+]([O-])=O)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C17H15N7O4S/c1-9-14-15(28-22-9)12(7-10-3-5-11(6-4-10)24(26)27)21-23(16(14)25)8-13-19-20-17(18-2)29-13/h3-6H,7-8H2,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381246 (CHEMBL2018567) Show SMILES Cc1noc2c(Cc3ccc(cc3)[N+]([O-])=O)nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c12 Show InChI InChI=1S/C22H17N7O4S/c1-13-19-20(33-27-13)17(11-14-7-9-16(10-8-14)29(31)32)26-28(21(19)30)12-18-24-25-22(34-18)23-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381241 (CHEMBL2018563) Show SMILES CNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C17H16N6O2S/c1-10-14-15(25-22-10)12(8-11-6-4-3-5-7-11)21-23(16(14)24)9-13-19-20-17(18-2)26-13/h3-7H,8-9H2,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381248 (CHEMBL2018569) Show SMILES CCNc1nnc(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C19H20N6O3S/c1-4-20-19-22-21-15(29-19)10-25-18(26)16-11(2)24-28-17(16)14(23-25)9-12-5-7-13(27-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,20,22)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381249 (CHEMBL2018570) Show SMILES COc1ccc(Cc2nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C23H20N6O3S/c1-14-20-21(32-28-14)18(12-15-8-10-17(31-2)11-9-15)27-29(22(20)30)13-19-25-26-23(33-19)24-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,26)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381243 (CHEMBL2016598) Show SMILES Cc1noc2c(Cc3ccccc3)nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c12 Show InChI InChI=1S/C22H18N6O2S/c1-14-19-20(30-27-14)17(12-15-8-4-2-5-9-15)26-28(21(19)29)13-18-24-25-22(31-18)23-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381242 (CHEMBL2018564) Show SMILES CCNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C18H18N6O2S/c1-3-19-18-21-20-14(27-18)10-24-17(25)15-11(2)23-26-16(15)13(22-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381252 (CHEMBL2018669) Show SMILES Cc1noc2c(Cc3ccccc3)nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C22H18N6O2S/c1-14-19-20(30-26-14)17(12-15-8-4-2-5-9-15)25-27(21(19)29)13-18-23-24-22(31)28(18)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,24,31)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381255 (CHEMBL2018672) Show SMILES Cc1noc2c(Cc3ccc(cc3)[N+]([O-])=O)nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C22H17N7O4S/c1-13-19-20(33-26-13)17(11-14-7-9-16(10-8-14)29(31)32)25-27(21(19)30)12-18-23-24-22(34)28(18)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,24,34)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381249 (CHEMBL2018570) Show SMILES COc1ccc(Cc2nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C23H20N6O3S/c1-14-20-21(32-28-14)18(12-15-8-10-17(31-2)11-9-15)27-29(22(20)30)13-19-25-26-23(33-19)24-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381240 (CHEMBL2018675) Show SMILES COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C23H20N6O3S/c1-14-20-21(32-27-14)18(12-15-8-10-17(31-2)11-9-15)26-28(22(20)30)13-19-24-25-23(33)29(19)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,25,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50365268 (CHEMBL1958350) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(CCO)cc3)c2c1 Show InChI InChI=1S/C27H24ClNO5/c1-17-23(16-26(31)34-21-9-3-18(4-10-21)13-14-30)24-15-22(33-2)11-12-25(24)29(17)27(32)19-5-7-20(28)8-6-19/h3-12,15,30H,13-14,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381252 (CHEMBL2018669) Show SMILES Cc1noc2c(Cc3ccccc3)nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C22H18N6O2S/c1-14-19-20(30-26-14)17(12-15-8-4-2-5-9-15)25-27(21(19)29)13-18-23-24-22(31)28(18)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,24,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381246 (CHEMBL2018567) Show SMILES Cc1noc2c(Cc3ccc(cc3)[N+]([O-])=O)nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c12 Show InChI InChI=1S/C22H17N7O4S/c1-13-19-20(33-27-13)17(11-14-7-9-16(10-8-14)29(31)32)26-28(21(19)30)12-18-24-25-22(34-18)23-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381248 (CHEMBL2018569) Show SMILES CCNc1nnc(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C19H20N6O3S/c1-4-20-19-22-21-15(29-19)10-25-18(26)16-11(2)24-28-17(16)14(23-25)9-12-5-7-13(27-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50381242 (CHEMBL2018564) Show SMILES CCNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1 Show InChI InChI=1S/C18H18N6O2S/c1-3-19-18-21-20-14(27-18)10-24-17(25)15-11(2)23-26-16(15)13(22-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381255 (CHEMBL2018672) Show SMILES Cc1noc2c(Cc3ccc(cc3)[N+]([O-])=O)nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C22H17N7O4S/c1-13-19-20(33-26-13)17(11-14-7-9-16(10-8-14)29(31)32)25-27(21(19)30)12-18-23-24-22(34)28(18)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,24,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair

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