Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50021389   

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 (Mus musculus (Mouse))	BDBM50224129 (CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224128 (CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224122 (CHEMBL398382 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-12-21(13-7-17)30(4,26)27)24(16(18)2)19-8-10-20(28-3)11-9-19/h6-14H,5,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224113 (CHEMBL237811 | ethyl-2-Methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-7-18(23)8-6-16)24(15(17)2)19-9-11-20(12-10-19)29(3,26)27/h5-13H,4,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					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	540	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-induced monocyte assessed as PGE2 production in human whole blood				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224124 (CHEMBL237813 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(OC)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-10-20(28-3)11-7-17)24(16(18)2)19-8-12-21(13-9-19)30(4,26)27/h6-14H,5,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224125 (CHEMBL393159 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224114 (CHEMBL441132 | Ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H23NO6S/c1-5-30-23(26)22(25)20-14-21(16-6-12-19(13-7-16)31(4,27)28)24(15(20)2)17-8-10-18(29-3)11-9-17/h6-14H,5H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224127 (CHEMBL398384 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-6-16(2)7-9-18)24(17(19)3)20-10-12-21(13-11-20)29(4,26)27/h6-14H,5,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-induced monocyte assessed as PGE2 production in human whole blood				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	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 Reactome pathway 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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224126 (CHEMBL398383 | Ehyl-2-methyl-1-[4-(methylsulfonyl)...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)13-16-12-21(15-5-10-19(23)20(24)11-15)25(14(16)2)17-6-8-18(9-7-17)30(3,27)28/h5-12H,4,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224119 (CHEMBL391113 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H19F2NO5S/c1-4-30-22(27)21(26)17-12-20(14-5-8-16(9-6-14)31(3,28)29)25(13(17)2)15-7-10-18(23)19(24)11-15/h5-12H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224117 (CHEMBL438147 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-5-11-18(12-6-15)30(3,27)28)24(14(19)2)17-9-7-16(23)8-10-17/h5-13H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as TXB2 production				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as TXB2 production				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224127 (CHEMBL398384 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-6-16(2)7-9-18)24(17(19)3)20-10-12-21(13-11-20)29(4,26)27/h6-14H,5,15H2,1-4H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224130 (CHEMBL237183 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccccc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H21NO5S/c1-4-28-22(25)21(24)19-14-20(16-8-6-5-7-9-16)23(15(19)2)17-10-12-18(13-11-17)29(3,26)27/h5-14H,4H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224129 (CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224131 (CHEMBL237182 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(OC)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H23NO6S/c1-5-30-23(26)22(25)20-14-21(16-6-10-18(29-3)11-7-16)24(15(20)2)17-8-12-19(13-9-17)31(4,27)28/h6-14H,5H2,1-4H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224126 (CHEMBL398383 | Ehyl-2-methyl-1-[4-(methylsulfonyl)...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)13-16-12-21(15-5-10-19(23)20(24)11-15)25(14(16)2)17-6-8-18(9-7-17)30(3,27)28/h5-12H,4,13H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224125 (CHEMBL393159 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224128 (CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224115 (CHEMBL238033 | ethyl-2-Methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)C(F)(F)F)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H22F3NO4S/c1-4-31-22(28)14-17-13-21(16-5-7-18(8-6-16)23(24,25)26)27(15(17)2)19-9-11-20(12-10-19)32(3,29)30/h5-13H,4,14H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224132 (CHEMBL238031 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccccc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)15-18-14-21(17-8-6-5-7-9-17)23(16(18)2)19-10-12-20(13-11-19)28(3,25)26/h5-14H,4,15H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224124 (CHEMBL237813 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(OC)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-10-20(28-3)11-7-17)24(16(18)2)19-8-12-21(13-9-19)30(4,26)27/h6-14H,5,15H2,1-4H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224113 (CHEMBL237811 | ethyl-2-Methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-7-18(23)8-6-16)24(15(17)2)19-9-11-20(12-10-19)29(3,26)27/h5-13H,4,14H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224119 (CHEMBL391113 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H19F2NO5S/c1-4-30-22(27)21(26)17-12-20(14-5-8-16(9-6-14)31(3,28)29)25(13(17)2)15-7-10-18(23)19(24)11-15/h5-12H,4H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224123 (CHEMBL237391 | ehyl-2-methyl-1-[4-(methylsulfonyl)...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19F2NO5S/c1-4-30-22(27)21(26)17-12-20(14-5-10-18(23)19(24)11-14)25(13(17)2)15-6-8-16(9-7-15)31(3,28)29/h5-12H,4H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224121 (CHEMBL391020 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)C(F)(F)F)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H20F3NO5S/c1-4-32-22(29)21(28)19-13-20(15-5-7-16(8-6-15)23(24,25)26)27(14(19)2)17-9-11-18(12-10-17)33(3,30)31/h5-13H,4H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224122 (CHEMBL398382 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-12-21(13-7-17)30(4,26)27)24(16(18)2)19-8-10-20(28-3)11-9-19/h6-14H,5,15H2,1-4H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224120 (CHEMBL236159 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H23NO5S/c1-5-29-23(26)22(25)20-14-21(17-8-6-15(2)7-9-17)24(16(20)3)18-10-12-19(13-11-18)30(4,27)28/h6-14H,5H2,1-4H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224114 (CHEMBL441132 | Ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H23NO6S/c1-5-30-23(26)22(25)20-14-21(16-6-12-19(13-7-16)31(4,27)28)24(15(20)2)17-8-10-18(29-3)11-9-17/h6-14H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224116 (CHEMBL393160 | ethyl-2-methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(F)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-5-7-16(23)8-6-15)24(14(19)2)17-9-11-18(12-10-17)30(3,27)28/h5-13H,4H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50224117 (CHEMBL438147 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-5-11-18(12-6-15)30(3,27)28)24(14(19)2)17-9-7-16(23)8-10-17/h5-13H,4H2,1-3H3	PDB MMDB Reactome pathway 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair