Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'vallin' and Initial = 'ks'   

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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50390485 (CHEMBL2071601) Show SMILES CC(C)C(NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H16ClF3N2O4/c1-10(2)16(17(26)11-3-6-13(7-4-11)25(28)29)24-18(27)14-9-12(20)5-8-15(14)19(21,22)23/h3-10,16H,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay				Bioorg Med Chem Lett 22: 5485-92 (2012) Article DOI: 10.1016/j.bmcl.2012.07.032 BindingDB Entry DOI: 10.7270/Q2RR20B8
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181966 (US9145380, 169) Show SMILES COc1ncc(cc1Cl)-c1cccc(c1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H16ClN3O5S2/c1-27-18-15(19)10-13(11-21-18)12-5-4-6-14(9-12)29(25,26)22-16-7-2-3-8-17(16)28(20,23)24/h2-11,22H,1H3,(H2,20,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182037 (US9145380, 240) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(nc1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O4S2/c23-22(24,25)18-9-5-16(6-10-18)7-11-19-12-8-17(15-27-19)13-14-33(29,30)28-20-3-1-2-4-21(20)34(26,31)32/h1-6,8-10,12,15,28H,13-14H2,(H2,26,31,32)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181846 (US9145380, 49) Show SMILES COc1cc(Cl)ccc1\C=C\S(=O)(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C15H15ClN2O5S2/c1-23-14-10-12(16)7-6-11(14)8-9-24(19,20)18-13-4-2-3-5-15(13)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b9-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181802 (US9145380, 5) Show SMILES NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C22H17FN2O5S2/c23-18-9-10-22(32(24,28)29)19(14-18)25-31(26,27)12-11-15-5-7-16(8-6-15)21-13-17-3-1-2-4-20(17)30-21/h1-14,25H,(H2,24,28,29)/b12-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182009 (US9145380, 212) Show SMILES NS(=O)(=O)c1cc(CO)ccc1NS(=O)(=O)CCc1ccc(cc1)C#CC1CCCC1 Show InChI InChI=1S/C22H26N2O5S2/c23-31(28,29)22-15-20(16-25)11-12-21(22)24-30(26,27)14-13-19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h7-12,15,17,24-25H,1-4,13-14,16H2,(H2,23,28,29)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181815 (US9145380, 18) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H16N2O5S2/c19-27(23,24)18-6-2-1-4-16(18)20-26(21,22)13-11-14-7-9-15(10-8-14)17-5-3-12-25-17/h1-13,20H,(H2,19,23,24)/b13-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182005 (US9145380, 208) Show SMILES CC(C)(C)C#Cc1ccc(\C=C\S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H22N2O4S2/c1-20(2,3)14-12-16-8-10-17(11-9-16)13-15-27(23,24)22-18-6-4-5-7-19(18)28(21,25)26/h4-11,13,15,22H,1-3H3,(H2,21,25,26)/b15-13+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181833 (US9145380, 36) Show SMILES NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H15FN2O5S2/c19-15-3-1-4-16(18(15)28(20,24)25)21-27(22,23)12-10-13-6-8-14(9-7-13)17-5-2-11-26-17/h1-12,21H,(H2,20,24,25)/b12-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181903 (US9145380, 106) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccc(Br)cc1 Show InChI InChI=1S/C14H13BrN2O4S2/c15-12-7-5-11(6-8-12)9-10-22(18,19)17-13-3-1-2-4-14(13)23(16,20)21/h1-10,17H,(H2,16,20,21)/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181803 (US9145380, 6) Show SMILES NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C22H17FN2O5S2/c23-18-5-3-6-19(22(18)32(24,28)29)25-31(26,27)13-12-15-8-10-16(11-9-15)21-14-17-4-1-2-7-20(17)30-21/h1-14,25H,(H2,24,28,29)/b13-12+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182008 (US9145380, 211) Show SMILES CC(C)(C)C#Cc1ccc(CCS(=O)(=O)Nc2ccc(CO)cc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H26N2O5S2/c1-21(2,3)12-10-16-4-6-17(7-5-16)11-13-29(25,26)23-19-9-8-18(15-24)14-20(19)30(22,27)28/h4-9,14,23-24H,11,13,15H2,1-3H3,(H2,22,27,28)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181822 (US9145380, 25) Show SMILES NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)\C=C\c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2FN2O4S2/c15-10-5-4-9(8-11(10)16)6-7-24(20,21)19-13-3-1-2-12(17)14(13)25(18,22)23/h1-8,19H,(H2,18,22,23)/b7-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181801 (US9145380, 4) Show SMILES NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C22H17FN2O5S2/c23-18-9-10-19(22(14-18)32(24,28)29)25-31(26,27)12-11-15-5-7-16(8-6-15)21-13-17-3-1-2-4-20(17)30-21/h1-14,25H,(H2,24,28,29)/b12-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181980 (US9145380, 183) Show SMILES CC(C)(C)C#Cc1ccc(CCS(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H24N2O4S2/c1-20(2,3)14-12-16-8-10-17(11-9-16)13-15-27(23,24)22-18-6-4-5-7-19(18)28(21,25)26/h4-11,22H,13,15H2,1-3H3,(H2,21,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181849 (US9145380, 52) Show SMILES NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H17FN2O4S2/c21-18-10-11-19(20(14-18)29(22,26)27)23-28(24,25)13-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-14,23H,(H2,22,26,27)/b13-12+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	84	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181889 (US9145380, 92) Show SMILES NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)\C=C\c1ccc2ccccc2c1 Show InChI InChI=1S/C18H15FN2O4S2/c19-16-7-8-18(27(20,24)25)17(12-16)21-26(22,23)10-9-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,21H,(H2,20,24,25)/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	91	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182004 (US9145380, 207) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccc(cc1)C1=CCCC1 |t:24| Show InChI InChI=1S/C19H20N2O4S2/c20-27(24,25)19-8-4-3-7-18(19)21-26(22,23)14-13-15-9-11-17(12-10-15)16-5-1-2-6-16/h3-5,7-14,21H,1-2,6H2,(H2,20,24,25)/b14-13+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	97	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182021 (US9145380, 224) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O4S2/c22-21(23,24)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-14-31(27,28)26-19-3-1-2-4-20(19)32(25,29)30/h1-12,26H,13-14H2,(H2,25,29,30)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181840 (US9145380, 43) Show SMILES NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)\C=C\c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C15H13F3N2O5S2/c16-12-2-1-3-13(14(12)27(19,23)24)20-26(21,22)9-8-10-4-6-11(7-5-10)25-15(17)18/h1-9,15,20H,(H2,19,23,24)/b9-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182014 (US9145380, 217) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccccc1OC(F)F Show InChI InChI=1S/C15H14F2N2O5S2/c16-15(17)24-13-7-3-1-5-11(13)9-10-25(20,21)19-12-6-2-4-8-14(12)26(18,22)23/h1-10,15,19H,(H2,18,22,23)/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181831 (US9145380, 34) Show SMILES NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H15FN2O5S2/c19-15-7-8-18(28(20,24)25)16(12-15)21-27(22,23)11-9-13-3-5-14(6-4-13)17-2-1-10-26-17/h1-12,21H,(H2,20,24,25)/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181798 (US9145380, 1) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C22H20N2O5S2/c23-31(27,28)22-8-4-2-6-19(22)24-30(25,26)14-13-16-9-11-17(12-10-16)21-15-18-5-1-3-7-20(18)29-21/h1-12,15,24H,13-14H2,(H2,23,27,28)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182028 (US9145380, 231) Show SMILES NS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H13Cl3N2O4S2/c15-10-2-4-14(25(18,22)23)13(8-10)19-24(20,21)6-5-9-1-3-11(16)12(17)7-9/h1-4,7-8,19H,5-6H2,(H2,18,22,23)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182025 (US9145380, 228) Show SMILES COc1cc(Cl)ccc1CCS(=O)(=O)Nc1cc(Cl)ccc1S(N)(=O)=O Show InChI InChI=1S/C15H16Cl2N2O5S2/c1-24-14-9-12(17)3-2-10(14)6-7-25(20,21)19-13-8-11(16)4-5-15(13)26(18,22)23/h2-5,8-9,19H,6-7H2,1H3,(H2,18,22,23)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181847 (US9145380, 50) Show SMILES NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H17FN2O4S2/c21-18-7-4-8-19(20(18)29(22,26)27)23-28(24,25)14-13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14,23H,(H2,22,26,27)/b14-13+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182013 (US9145380, 216) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccc(OC(F)(F)C(F)F)cc1 Show InChI InChI=1S/C16H14F4N2O5S2/c17-15(18)16(19,20)27-12-7-5-11(6-8-12)9-10-28(23,24)22-13-3-1-2-4-14(13)29(21,25)26/h1-10,15,22H,(H2,21,25,26)/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181800 (US9145380, 3) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C22H18N2O5S2/c23-31(27,28)22-8-4-2-6-19(22)24-30(25,26)14-13-16-9-11-17(12-10-16)21-15-18-5-1-3-7-20(18)29-21/h1-15,24H,(H2,23,27,28)/b14-13+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181904 (US9145380, 107) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(Br)cc1 Show InChI InChI=1S/C14H15BrN2O4S2/c15-12-7-5-11(6-8-12)9-10-22(18,19)17-13-3-1-2-4-14(13)23(16,20)21/h1-8,17H,9-10H2,(H2,16,20,21)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182030 (US9145380, 233) Show SMILES NS(=O)(=O)c1cc(Cl)c(F)cc1NS(=O)(=O)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H12Cl3FN2O4S2/c15-9-2-1-8(5-10(9)16)3-4-25(21,22)20-13-7-12(18)11(17)6-14(13)26(19,23)24/h1-2,5-7,20H,3-4H2,(H2,19,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181834 (US9145380, 37) Show SMILES CSc1ccc(\C=C\S(=O)(=O)Nc2cc(F)ccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C15H15FN2O4S3/c1-23-13-5-2-11(3-6-13)8-9-24(19,20)18-14-10-12(16)4-7-15(14)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b9-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181850 (US9145380, 53) Show SMILES NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H17FN2O4S2/c21-18-10-11-20(29(22,26)27)19(14-18)23-28(24,25)13-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-14,23H,(H2,22,26,27)/b13-12+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181832 (US9145380, 35) Show SMILES NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H15FN2O5S2/c19-15-7-8-16(18(12-15)28(20,24)25)21-27(22,23)11-9-13-3-5-14(6-4-13)17-2-1-10-26-17/h1-12,21H,(H2,20,24,25)/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182015 (US9145380, 218) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H17F3N2O4S2/c22-21(23,24)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-14-31(27,28)26-19-3-1-2-4-20(19)32(25,29)30/h1-14,26H,(H2,25,29,30)/b14-13+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181961 (US9145380, 164) Show SMILES COc1ncc(cc1F)-c1cccc(c1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H16FN3O5S2/c1-27-18-15(19)10-13(11-21-18)12-5-4-6-14(9-12)29(25,26)22-16-7-2-3-8-17(16)28(20,23)24/h2-11,22H,1H3,(H2,20,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181813 (US9145380, 16) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H18N2O5S2/c19-27(23,24)18-6-2-1-4-16(18)20-26(21,22)13-11-14-7-9-15(10-8-14)17-5-3-12-25-17/h1-10,12,20H,11,13H2,(H2,19,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181881 (US9145380, 84) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)\C=C\c1ccc2ccccc2c1 Show InChI InChI=1S/C18H16N2O4S2/c19-26(23,24)18-8-4-3-7-17(18)20-25(21,22)12-11-14-9-10-15-5-1-2-6-16(15)13-14/h1-13,20H,(H2,19,23,24)/b12-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50390479 (CHEMBL2071599) Show SMILES CC(C)c1onc(C)c1C(=O)NC(C(=O)c1ccc(C#N)c(F)c1)C(C)(C)C Show InChI InChI=1S/C21H24FN3O3/c1-11(2)18-16(12(3)25-28-18)20(27)24-19(21(4,5)6)17(26)13-7-8-14(10-23)15(22)9-13/h7-9,11,19H,1-6H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay				Bioorg Med Chem Lett 22: 5485-92 (2012) Article DOI: 10.1016/j.bmcl.2012.07.032 BindingDB Entry DOI: 10.7270/Q2RR20B8
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181835 (US9145380, 38) Show SMILES CSc1ccc(\C=C\S(=O)(=O)Nc2ccc(F)cc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C15H15FN2O4S3/c1-23-13-5-2-11(3-6-13)8-9-24(19,20)18-14-7-4-12(16)10-15(14)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b9-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181867 (US9145380, 70) Show SMILES CC(C)(C)c1ccc(CCS(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-10-8-14(9-11-15)12-13-25(21,22)20-16-6-4-5-7-17(16)26(19,23)24/h4-11,20H,12-13H2,1-3H3,(H2,19,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182006 (US9145380, 209) Show SMILES CC(C)(O)C#Cc1ccc(\C=C\S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H20N2O5S2/c1-19(2,22)13-11-15-7-9-16(10-8-15)12-14-27(23,24)21-17-5-3-4-6-18(17)28(20,25)26/h3-10,12,14,21-22H,1-2H3,(H2,20,25,26)/b14-12+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181971 (US9145380, 174) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl2N2O4S2/c19-15-9-8-13(11-16(15)20)12-4-3-5-14(10-12)28(25,26)22-17-6-1-2-7-18(17)27(21,23)24/h1-11,22H,(H2,21,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181918 (US9145380, 121) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H15F3N2O5S2/c20-19(21,22)29-15-7-3-5-13(11-15)14-6-4-8-16(12-14)31(27,28)24-17-9-1-2-10-18(17)30(23,25)26/h1-12,24H,(H2,23,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181983 (US9145380, 186) Show SMILES COc1cc(Cl)ccc1CCS(=O)(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C15H17ClN2O5S2/c1-23-14-10-12(16)7-6-11(14)8-9-24(19,20)18-13-4-2-3-5-15(13)25(17,21)22/h2-7,10,18H,8-9H2,1H3,(H2,17,21,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50390463 (CHEMBL2071586) Show SMILES CC(C)C(NC(=O)N(C)C(C)(C)C)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2O2/c1-11(2)14(19-16(22)20(6)17(3,4)5)15(21)12-7-9-13(18)10-8-12/h7-11,14H,1-6H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Ca2+-induced intracellular calcium flux by FLIPR assay				Bioorg Med Chem Lett 22: 5485-92 (2012) Article DOI: 10.1016/j.bmcl.2012.07.032 BindingDB Entry DOI: 10.7270/Q2RR20B8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50390478 (CHEMBL2071491) Show SMILES CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H18N2O4/c1-12(2)16(19-18(22)14-6-4-3-5-7-14)17(21)13-8-10-15(11-9-13)20(23)24/h3-12,16H,1-2H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay				Bioorg Med Chem Lett 22: 5485-92 (2012) Article DOI: 10.1016/j.bmcl.2012.07.032 BindingDB Entry DOI: 10.7270/Q2RR20B8
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181866 (US9145380, 69) Show SMILES NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(cc1)C1CCCC1 Show InChI InChI=1S/C19H24N2O4S2/c20-27(24,25)19-8-4-3-7-18(19)21-26(22,23)14-13-15-9-11-17(12-10-15)16-5-1-2-6-16/h3-4,7-12,16,21H,1-2,5-6,13-14H2,(H2,20,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181851 (US9145380, 54) Show SMILES NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)\C=C\c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H12F4N2O4S2/c16-12-4-5-13(14(9-12)27(20,24)25)21-26(22,23)7-6-10-2-1-3-11(8-10)15(17,18)19/h1-9,21H,(H2,20,24,25)/b7-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM181820 (US9145380, 23) Show SMILES NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)\C=C\c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2FN2O4S2/c15-11-3-1-9(7-12(11)16)5-6-24(20,21)19-13-8-10(17)2-4-14(13)25(18,22)23/h1-8,19H,(H2,18,22,23)/b6-5+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM182017 (US9145380, 220) Show SMILES CSc1ccccc1\C=C\S(=O)(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C15H16N2O4S3/c1-22-14-8-4-2-6-12(14)10-11-23(18,19)17-13-7-3-5-9-15(13)24(16,20)21/h2-11,17H,1H3,(H2,16,20,21)/b11-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
					More data for this Ligand-Target Pair

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