Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'kellstein' and Initial = 'de'   

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))	BDBM50408442 (CHEMBL2112567) Show SMILES CC(C)(C)c1cc(\C=C2/CCOC2=O)cc2c1OCC2(C)C Show InChI InChI=1S/C19H24O3/c1-18(2,3)14-9-12(8-13-6-7-21-17(13)20)10-15-16(14)22-11-19(15,4)5/h8-10H,6-7,11H2,1-5H3/b13-8+	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063777 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066572 (6-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)-c1cn2ccsc2n1 Show InChI InChI=1S/C19H22N2OS/c1-18(2,3)13-8-12(9-14-16(13)22-11-19(14,4)5)15-10-21-6-7-23-17(21)20-15/h6-10H,11H2,1-5H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063780 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063780 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066561 (7-tert-Butyl-3,3-dimethyl-5-((Z)-2-thiophen-2-yl-v...) Show SMILES CC(C)(C)c1cc(\C=C/c2cccs2)cc2c1OCC2(C)C Show InChI InChI=1S/C20H24OS/c1-19(2,3)16-11-14(8-9-15-7-6-10-22-15)12-17-18(16)21-13-20(17,4)5/h6-12H,13H2,1-5H3/b9-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066564 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES COCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H27NO3/c1-17(2,3)13-9-12(16(20)19-7-8-21-6)10-14-15(13)22-11-18(14,4)5/h9-10H,7-8,11H2,1-6H3,(H,19,20)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066561 (7-tert-Butyl-3,3-dimethyl-5-((Z)-2-thiophen-2-yl-v...) Show SMILES CC(C)(C)c1cc(\C=C/c2cccs2)cc2c1OCC2(C)C Show InChI InChI=1S/C20H24OS/c1-19(2,3)16-11-14(8-9-15-7-6-10-22-15)12-17-18(16)21-13-20(17,4)5/h6-12H,13H2,1-5H3/b9-8-	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066569 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES Cn1cccc1C(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H25NO2/c1-19(2,3)14-10-13(17(22)16-8-7-9-21(16)6)11-15-18(14)23-12-20(15,4)5/h7-11H,12H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066560 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1cccs1 Show InChI InChI=1S/C19H22O2S/c1-18(2,3)13-9-12(16(20)15-7-6-8-22-15)10-14-17(13)21-11-19(14,4)5/h6-10H,11H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063779 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H28O2/c1-7-8-9-16(20)13-10-14(18(2,3)4)17-15(11-13)19(5,6)12-21-17/h10-11H,7-9,12H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063779 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H28O2/c1-7-8-9-16(20)13-10-14(18(2,3)4)17-15(11-13)19(5,6)12-21-17/h10-11H,7-9,12H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066569 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES Cn1cccc1C(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H25NO2/c1-19(2,3)14-10-13(17(22)16-8-7-9-21(16)6)11-15-18(14)23-12-20(15,4)5/h7-11H,12H2,1-6H3	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50408442 (CHEMBL2112567) Show SMILES CC(C)(C)c1cc(\C=C2/CCOC2=O)cc2c1OCC2(C)C Show InChI InChI=1S/C19H24O3/c1-18(2,3)14-9-12(8-13-6-7-21-17(13)20)10-15-16(14)22-11-19(15,4)5/h8-10H,6-7,11H2,1-5H3/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066560 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1cccs1 Show InChI InChI=1S/C19H22O2S/c1-18(2,3)13-9-12(16(20)15-7-6-8-22-15)10-14-17(13)21-11-19(14,4)5/h6-10H,11H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063780 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063780 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 (COX-1).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066555 (3-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C1=NOC(C)(C)C1 |t:17| Show InChI InChI=1S/C19H27NO2/c1-17(2,3)13-8-12(15-10-19(6,7)22-20-15)9-14-16(13)21-11-18(14,4)5/h8-9H,10-11H2,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066571 (7-tert-Butyl-3,3-dimethyl-5-thiophen-2-yl-2,3-dihy...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)-c1cccs1 Show InChI InChI=1S/C18H22OS/c1-17(2,3)13-9-12(15-7-6-8-20-15)10-14-16(13)19-11-18(14,4)5/h6-10H,11H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066572 (6-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)-c1cn2ccsc2n1 Show InChI InChI=1S/C19H22N2OS/c1-18(2,3)13-8-12(9-14-16(13)22-11-19(14,4)5)15-10-21-6-7-23-17(21)20-15/h6-10H,11H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063778 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H30O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h11-12H,7-10,13H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063781 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26O2/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 (COX-1).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063781 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26O2/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063781 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26O2/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063781 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26O2/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063789 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(Cl)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H27ClO2/c1-17(2,3)13-8-12(15(21)10-19(6,7)20)9-14-16(13)22-11-18(14,4)5/h8-9H,10-11H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063777 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063795 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzo[b]t...) Show SMILES CCCC(=O)c1cc2c(SCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26OS/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066571 (7-tert-Butyl-3,3-dimethyl-5-thiophen-2-yl-2,3-dihy...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)-c1cccs1 Show InChI InChI=1S/C18H22OS/c1-17(2,3)13-9-12(15-7-6-8-20-15)10-14-16(13)19-11-18(14,4)5/h6-10H,11H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066555 (3-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C1=NOC(C)(C)C1 |t:17| Show InChI InChI=1S/C19H27NO2/c1-17(2,3)13-8-12(15-10-19(6,7)22-20-15)9-14-16(13)21-11-18(14,4)5/h8-9H,10-11H2,1-7H3	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063787 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1 Show InChI InChI=1S/C21H30O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h11-12,14H,6-10,13H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066575 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CCCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H29NO2/c1-7-8-9-20-17(21)13-10-14(18(2,3)4)16-15(11-13)19(5,6)12-22-16/h10-11H,7-9,12H2,1-6H3,(H,20,21)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063787 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1 Show InChI InChI=1S/C21H30O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h11-12,14H,6-10,13H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 (COX-1).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066567 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CCCCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H31NO2/c1-7-8-9-10-21-18(22)14-11-15(19(2,3)4)17-16(12-14)20(5,6)13-23-17/h11-12H,7-10,13H2,1-6H3,(H,21,22)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063782 ((E)-1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzo...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)C=CCC1CC1 |w:18.20| Show InChI InChI=1S/C21H28O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h6,8,11-12,14H,7,9-10,13H2,1-5H3	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066565 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C18H25NO2/c1-17(2,3)13-8-11(16(20)19-12-6-7-12)9-14-15(13)21-10-18(14,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063796 (1-(8-tert-Butyl-1,4,4-trimethyl-1,2,3,4-tetrahydro...) Show SMILES CCCCC(=O)c1cc(c2N(C)CCC(C)(C)c2c1)C(C)(C)C Show InChI InChI=1S/C21H33NO/c1-8-9-10-18(23)15-13-16(20(2,3)4)19-17(14-15)21(5,6)11-12-22(19)7/h13-14H,8-12H2,1-7H3	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063788 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC1CC1 Show InChI InChI=1S/C20H28O2S/c1-19(2,3)15-8-14(17(21)11-23-10-13-6-7-13)9-16-18(15)22-12-20(16,4)5/h8-9,13H,6-7,10-12H2,1-5H3	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063793 (1-(8-tert-Butyl-4,4-dimethyl-thiochroman-6-yl)-pen...) Show SMILES CCCCC(=O)c1cc(c2SCCC(C)(C)c2c1)C(C)(C)C Show InChI InChI=1S/C20H30OS/c1-7-8-9-17(21)14-12-15(19(2,3)4)18-16(13-14)20(5,6)10-11-22-18/h12-13H,7-11H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 (COX-1).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063793 (1-(8-tert-Butyl-4,4-dimethyl-thiochroman-6-yl)-pen...) Show SMILES CCCCC(=O)c1cc(c2SCCC(C)(C)c2c1)C(C)(C)C Show InChI InChI=1S/C20H30OS/c1-7-8-9-17(21)14-12-15(19(2,3)4)18-16(13-14)20(5,6)10-11-22-18/h12-13H,7-11H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 (COX-2).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50066565 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C18H25NO2/c1-17(2,3)13-8-11(16(20)19-12-6-7-12)9-14-15(13)21-10-18(14,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,20)	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	550	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50066556 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H27NO2/c1-7-8-19-16(20)12-9-13(17(2,3)4)15-14(10-12)18(5,6)11-21-15/h9-10H,7-8,11H2,1-6H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063788 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC1CC1 Show InChI InChI=1S/C20H28O2S/c1-19(2,3)15-8-14(17(21)11-23-10-13-6-7-13)9-16-18(15)22-12-20(16,4)5/h8-9,13H,6-7,10-12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063782 ((E)-1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzo...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)C=CCC1CC1 |w:18.20| Show InChI InChI=1S/C21H28O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h6,8,11-12,14H,7,9-10,13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair

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