Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'knape' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523302 (CHEMBL4589007) Show SMILES Brc1ccc(cc1)C(=O)Cn1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C21H15BrN4O4S/c22-15-5-3-14(4-6-15)18(27)11-26-10-16(24-25-26)12-30-17-7-1-13(2-8-17)9-19-20(28)23-21(29)31-19/h1-10H,11-12H2,(H,23,28,29)/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523300 (CHEMBL4475190) Show SMILES Brc1ccc(Cn2cc(COc3ccc(\C=C4/SC(=O)NC4=O)cc3)nn2)cc1 Show InChI InChI=1S/C20H15BrN4O3S/c21-15-5-1-14(2-6-15)10-25-11-16(23-24-25)12-28-17-7-3-13(4-8-17)9-18-19(26)22-20(27)29-18/h1-9,11H,10,12H2,(H,22,26,27)/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523290 (CHEMBL4474290) Show SMILES COc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H16N4O3S2/c1-26-16-8-4-15(5-9-16)24-11-14(22-23-24)12-27-17-6-2-13(3-7-17)10-18-19(25)21-20(28)29-18/h2-11H,12H2,1H3,(H,21,25,28)/b18-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523294 (CHEMBL4579799) Show SMILES Brc1ccc(Cn2cc(COc3ccc(\C=C4/SC(=S)NC4=O)cc3)nn2)cc1 Show InChI InChI=1S/C20H15BrN4O2S2/c21-15-5-1-14(2-6-15)10-25-11-16(23-24-25)12-27-17-7-3-13(4-8-17)9-18-19(26)22-20(28)29-18/h1-9,11H,10,12H2,(H,22,26,28)/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523304 (CHEMBL4542774) Show SMILES Brc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C19H13BrN4O2S2/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-26-16-7-1-12(2-8-16)9-17-18(25)21-19(27)28-17/h1-10H,11H2,(H,21,25,27)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523283 (CHEMBL4438502) Show SMILES Brc1ccc(cc1)C(=O)Cn1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C21H15BrN4O3S2/c22-15-5-3-14(4-6-15)18(27)11-26-10-16(24-25-26)12-29-17-7-1-13(2-8-17)9-19-20(28)23-21(30)31-19/h1-10H,11-12H2,(H,23,28,30)/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523284 (CHEMBL4461022) Show SMILES Brc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C19H13BrN4O3S/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-27-16-7-1-12(2-8-16)9-17-18(25)21-19(26)28-17/h1-10H,11H2,(H,21,25,26)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523287 (CHEMBL4447565) Show SMILES O=C1NC(=S)S\C1=C/c1ccc(OCC#C)cc1 Show InChI InChI=1S/C13H9NO2S2/c1-2-7-16-10-5-3-9(4-6-10)8-11-12(15)14-13(17)18-11/h1,3-6,8H,7H2,(H,14,15,17)/b11-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523303 (CHEMBL4472170) Show SMILES COc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H16N4O4S/c1-27-16-8-4-15(5-9-16)24-11-14(22-23-24)12-28-17-6-2-13(3-7-17)10-18-19(25)21-20(26)29-18/h2-11H,12H2,1H3,(H,21,25,26)/b18-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523289 (CHEMBL4436095) Show SMILES Clc1ccc(cc1)C(=O)Cn1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C21H15ClN4O3S2/c22-15-5-3-14(4-6-15)18(27)11-26-10-16(24-25-26)12-29-17-7-1-13(2-8-17)9-19-20(28)23-21(30)31-19/h1-10H,11-12H2,(H,23,28,30)/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523292 (CHEMBL4530072) Show SMILES Clc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C19H13ClN4O2S2/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-26-16-7-1-12(2-8-16)9-17-18(25)21-19(27)28-17/h1-10H,11H2,(H,21,25,27)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523288 (CHEMBL4521668) Show SMILES Clc1ccc(cc1)C(=O)Cn1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C21H15ClN4O4S/c22-15-5-3-14(4-6-15)18(27)11-26-10-16(24-25-26)12-30-17-7-1-13(2-8-17)9-19-20(28)23-21(29)31-19/h1-10H,11-12H2,(H,23,28,29)/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523286 (CHEMBL4559991) Show SMILES O=C1NC(=S)S\C1=C/c1ccc(OCc2cn(nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C19H14N4O2S2/c24-18-17(27-19(26)20-18)10-13-6-8-16(9-7-13)25-12-14-11-23(22-21-14)15-4-2-1-3-5-15/h1-11H,12H2,(H,20,24,26)/b17-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523299 (CHEMBL4544031) Show SMILES Clc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C19H13ClN4O3S/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-27-16-7-1-12(2-8-16)9-17-18(25)21-19(26)28-17/h1-10H,11H2,(H,21,25,26)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523301 (CHEMBL4570970) Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C20H16N4O3S/c25-19-18(28-20(26)21-19)10-14-6-8-17(9-7-14)27-13-16-12-24(23-22-16)11-15-4-2-1-3-5-15/h1-10,12H,11,13H2,(H,21,25,26)/b18-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523296 (CHEMBL4454251) Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(OCC#C)cc1 Show InChI InChI=1S/C13H9NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h1,3-6,8H,7H2,(H,14,15,16)/b11-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523295 (CHEMBL4449234) Show SMILES O=C1NC(=S)S\C1=C/c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C20H16N4O2S2/c25-19-18(28-20(27)21-19)10-14-6-8-17(9-7-14)26-13-16-12-24(23-22-16)11-15-4-2-1-3-5-15/h1-10,12H,11,13H2,(H,21,25,27)/b18-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523285 (CHEMBL4445953) Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H14N4O4S2/c25-18-17(30-20(29)21-18)9-12-1-7-16(8-2-12)28-11-14-10-24(23-22-14)15-5-3-13(4-6-15)19(26)27/h1-10H,11H2,(H,26,27)(H,21,25,29)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523293 (CHEMBL4439919) Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(OCc2cn(nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C19H14N4O3S/c24-18-17(27-19(25)20-18)10-13-6-8-16(9-7-13)26-12-14-11-23(22-21-14)15-4-2-1-3-5-15/h1-11H,12H2,(H,20,24,25)/b17-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523298 (CHEMBL4454204) Show SMILES Cc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H16N4O2S2/c1-13-2-6-16(7-3-13)24-11-15(22-23-24)12-26-17-8-4-14(5-9-17)10-18-19(25)21-20(27)28-18/h2-11H,12H2,1H3,(H,21,25,27)/b18-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523297 (CHEMBL4535128) Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H14N4O5S/c25-18-17(30-20(28)21-18)9-12-1-7-16(8-2-12)29-11-14-10-24(23-22-14)15-5-3-13(4-6-15)19(26)27/h1-10H,11H2,(H,26,27)(H,21,25,28)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					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	490	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50523291 (CHEMBL4450483) Show SMILES Cc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H16N4O3S/c1-13-2-6-16(7-3-13)24-11-15(22-23-24)12-27-17-8-4-14(5-9-17)10-18-19(25)21-20(26)28-18/h2-11H,12H2,1H3,(H,21,25,26)/b18-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50174201 (ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...) Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517212 (CHEMBL4463449) Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(OC(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C33H29F6NO6/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)46-33(37,38)39)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)32(34,35)36/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517209 (CHEMBL4561516) Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C32H29F4NO5/c1-3-4-5-22(31(38)39)15-23-16-25(11-13-28(23)42-18-20-6-9-24(33)10-7-20)41-19-21-8-12-27-26(14-21)29(40-2)17-30(37-27)32(34,35)36/h6-17H,3-5,18-19H2,1-2H3,(H,38,39)/b22-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517208 (CHEMBL4577891) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCC1CCN(C)CC1)C(O)=O Show InChI InChI=1S/C31H35F3N2O5/c1-4-5-22(30(37)38)15-23-16-24(7-9-27(23)41-18-20-10-12-36(2)13-11-20)40-19-21-6-8-26-25(14-21)28(39-3)17-29(35-26)31(32,33)34/h6-9,14-17,20H,4-5,10-13,18-19H2,1-3H3,(H,37,38)/b22-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517194 (CHEMBL4460559) Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(OC(F)F)cc1)C(O)=O Show InChI InChI=1S/C33H30F5NO6/c1-3-4-5-22(31(40)41)15-23-16-25(11-13-28(23)44-18-20-6-9-24(10-7-20)45-32(34)35)43-19-21-8-12-27-26(14-21)29(42-2)17-30(39-27)33(36,37)38/h6-17,32H,3-5,18-19H2,1-2H3,(H,40,41)/b22-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517196 (CHEMBL4564535) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C31H27F4NO5/c1-3-4-21(30(37)38)14-22-15-24(10-12-27(22)41-17-19-5-8-23(32)9-6-19)40-18-20-7-11-26-25(13-20)28(39-2)16-29(36-26)31(33,34)35/h5-16H,3-4,17-18H2,1-2H3,(H,37,38)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517193 (CHEMBL4438749) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccccc1F)C(O)=O Show InChI InChI=1S/C31H27F4NO5/c1-3-6-20(30(37)38)14-22-15-23(10-12-27(22)41-18-21-7-4-5-8-25(21)32)40-17-19-9-11-26-24(13-19)28(39-2)16-29(36-26)31(33,34)35/h4-5,7-16H,3,6,17-18H2,1-2H3,(H,37,38)/b20-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517211 (CHEMBL4450797) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1cccc(F)c1)C(O)=O Show InChI InChI=1S/C31H27F4NO5/c1-3-5-21(30(37)38)14-22-15-24(9-11-27(22)41-18-19-6-4-7-23(32)12-19)40-17-20-8-10-26-25(13-20)28(39-2)16-29(36-26)31(33,34)35/h4,6-16H,3,5,17-18H2,1-2H3,(H,37,38)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517206 (CHEMBL4469210) Show SMILES CCCn1c(cc2c(OC)ccc(OCc3ccc4nc(cc(OC)c4c3)C(F)(F)F)c12)C(O)=O Show InChI InChI=1S/C25H23F3N2O5/c1-4-9-30-18(24(31)32)11-16-19(33-2)7-8-20(23(16)30)35-13-14-5-6-17-15(10-14)21(34-3)12-22(29-17)25(26,27)28/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50174201 (ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...) Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517201 (CHEMBL4539507) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(C)ccc3c2)ccc1OCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C30H28FNO4/c1-3-4-24(30(33)34)16-25-17-27(12-14-29(25)36-18-21-6-10-26(31)11-7-21)35-19-22-8-13-28-23(15-22)9-5-20(2)32-28/h5-17H,3-4,18-19H2,1-2H3,(H,33,34)/b24-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062727 (CHEMBL3397721) Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+	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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517213 (CHEMBL4557705) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccncc1)C(O)=O Show InChI InChI=1S/C30H27F3N2O5/c1-3-4-21(29(36)37)14-22-15-23(6-8-26(22)40-17-19-9-11-34-12-10-19)39-18-20-5-7-25-24(13-20)27(38-2)16-28(35-25)30(31,32)33/h5-16H,3-4,17-18H2,1-2H3,(H,36,37)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517203 (CHEMBL4467078) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCCN1CCN(C)CC1)C(O)=O Show InChI InChI=1S/C31H36F3N3O5/c1-4-5-22(30(38)39)17-23-18-24(7-9-27(23)41-15-14-37-12-10-36(2)11-13-37)42-20-21-6-8-26-25(16-21)28(40-3)19-29(35-26)31(32,33)34/h6-9,16-19H,4-5,10-15,20H2,1-3H3,(H,38,39)/b22-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517207 (CHEMBL4440578) Show SMILES CCC\C(=C/c1cc(OCc2ccc3ncccc3c2)ccc1OCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C29H26FNO4/c1-2-4-23(29(32)33)16-24-17-26(11-13-28(24)35-18-20-6-9-25(30)10-7-20)34-19-21-8-12-27-22(15-21)5-3-14-31-27/h3,5-17H,2,4,18-19H2,1H3,(H,32,33)/b23-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517197 (CHEMBL4579845) Show SMILES CC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C30H25F4NO5/c1-3-20(29(36)37)13-21-14-23(9-11-26(21)40-16-18-4-7-22(31)8-5-18)39-17-19-6-10-25-24(12-19)27(38-2)15-28(35-25)30(32,33)34/h4-15H,3,16-17H2,1-2H3,(H,36,37)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50523297 (CHEMBL4535128) Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H14N4O5S/c25-18-17(30-20(28)21-18)9-12-1-7-16(8-2-12)29-11-14-10-24(23-22-14)15-5-3-13(4-6-15)19(26)27/h1-10H,11H2,(H,26,27)(H,21,25,28)/b17-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50523291 (CHEMBL4450483) Show SMILES Cc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C20H16N4O3S/c1-13-2-6-16(7-3-13)24-11-15(22-23-24)12-27-17-8-4-14(5-9-17)10-18-19(25)21-20(26)28-18/h2-11H,12H2,1H3,(H,21,25,26)/b18-10-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50523293 (CHEMBL4439919) Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(OCc2cn(nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C19H14N4O3S/c24-18-17(27-19(25)20-18)10-13-6-8-16(9-7-13)26-12-14-11-23(22-21-14)15-4-2-1-3-5-15/h1-11H,12H2,(H,20,24,25)/b17-10-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517205 (CHEMBL4448302) Show SMILES CCC\C(=C/c1cc(OCc2ccc3[n+]([O-])cccc3c2)ccc1OCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C29H26FNO5/c1-2-4-23(29(32)33)16-24-17-26(11-13-28(24)36-18-20-6-9-25(30)10-7-20)35-19-21-8-12-27-22(15-21)5-3-14-31(27)34/h3,5-17H,2,4,18-19H2,1H3,(H,32,33)/b23-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517202 (CHEMBL4516607) Show SMILES CCC\C(=C/c1cc(OCc2ccc3[nH]c(=O)ccc3c2)ccc1OCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C29H26FNO5/c1-2-3-22(29(33)34)15-23-16-25(10-12-27(23)36-17-19-4-8-24(30)9-5-19)35-18-20-6-11-26-21(14-20)7-13-28(32)31-26/h4-16H,2-3,17-18H2,1H3,(H,31,32)(H,33,34)/b22-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50517203 (CHEMBL4467078) Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCCN1CCN(C)CC1)C(O)=O Show InChI InChI=1S/C31H36F3N3O5/c1-4-5-22(30(38)39)17-23-18-24(7-9-27(23)41-15-14-37-12-10-36(2)11-13-37)42-20-21-6-8-26-25(16-21)28(40-3)19-29(35-26)31(32,33)34/h6-9,16-19H,4-5,10-15,20H2,1-3H3,(H,38,39)/b22-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Molecular Biology and Applied Ecology IME Curated by ChEMBL					Assay Description Antagonist actvity in sGFP-tagged PPARgamma LBD (unknown origin) assessed as inhibition of rosiglitazone-induced PPARgamma activation incubated for 1...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115082 BindingDB Entry DOI: 10.7270/Q20C5043
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50523286 (CHEMBL4559991) Show SMILES O=C1NC(=S)S\C1=C/c1ccc(OCc2cn(nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C19H14N4O2S2/c24-18-17(27-19(26)20-18)10-13-6-8-16(9-7-13)25-12-14-11-23(22-21-14)15-4-2-1-3-5-15/h1-11H,12H2,(H,20,24,26)/b17-10-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50523296 (CHEMBL4454251) Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(OCC#C)cc1 Show InChI InChI=1S/C13H9NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h1,3-6,8H,7H2,(H,14,15,16)/b11-8-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50523299 (CHEMBL4544031) Show SMILES Clc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2)nn1 Show InChI InChI=1S/C19H13ClN4O3S/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-27-16-7-1-12(2-8-16)9-17-18(25)21-19(26)28-17/h1-10H,11H2,(H,21,25,26)/b17-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DN48FJ
					More data for this Ligand-Target Pair

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