Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50000796   

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 (RAT)	BDBM50260464 (CHEMBL4071383) Show SMILES CN1C=CN(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C15H16F3N5O2S/c1-21-6-8-22(9-7-21)14-20-13(15(16,17)18)10-23(14)11-2-4-12(5-3-11)26(19,24)25/h2-10,14,20H,1H3,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260465 (CHEMBL4101003) Show SMILES CN1C=CC(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C16H16F3N3O3S/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	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	PDB Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (RAT)	BDBM50260467 (CHEMBL4101946) Show SMILES CN1C=CN(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C15H15F3N4O2S2/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260470 (CHEMBL4063353) Show SMILES CN1C=CN(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C15H15Cl3N4O3S/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260472 (CHEMBL4061498) Show SMILES CN1C=CC(C=C1)C1NC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H20N4O2S/c1-12-11-20(14-3-5-15(6-4-14)23(17,21)22)16(18-12)13-7-9-19(2)10-8-13/h3-11,13,16,18H,1-2H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260477 (CHEMBL4083020) Show SMILES CN1C=CN(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C15H15F3N4O3S/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260462 (CHEMBL4071496) Show SMILES CN1C=CC(C=C1)C1SC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H19N3O2S2/c1-12-11-19(14-3-5-15(6-4-14)23(17,20)21)16(22-12)13-7-9-18(2)10-8-13/h3-11,13,16H,1-2H3,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260476 (CHEMBL4093268) Show SMILES CN1C=CC(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C16H17F3N4O2S/c1-22-8-6-11(7-9-22)15-21-14(16(17,18)19)10-23(15)12-2-4-13(5-3-12)26(20,24)25/h2-11,15,21H,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260466 (CHEMBL4077676) Show SMILES CN1C=CC(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C16H16F3N3O2S2/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260474 (CHEMBL4071978) Show SMILES CN1C=CN(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C15H15Cl3N4O2S2/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260468 (CHEMBL4083426) Show SMILES CN1C=CC(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C16H17Cl3N4O2S/c1-22-8-6-11(7-9-22)15-21-14(16(17,18)19)10-23(15)12-2-4-13(5-3-12)26(20,24)25/h2-11,15,21H,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260471 (CHEMBL4098954) Show SMILES CN1C=CC(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C16H16Cl3N3O2S2/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260469 (CHEMBL4091214) Show SMILES CN1C=CC(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C16H16Cl3N3O3S/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260478 (CHEMBL4101416) Show SMILES CN1C=CN(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C15H16Cl3N5O2S/c1-21-6-8-22(9-7-21)14-20-13(15(16,17)18)10-23(14)11-2-4-12(5-3-11)26(19,24)25/h2-10,14,20H,1H3,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260473 (CHEMBL4073148) Show SMILES CN1C=CN(C=C1)C1NC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C15H19N5O2S/c1-12-11-20(13-3-5-14(6-4-13)23(16,21)22)15(17-12)19-9-7-18(2)8-10-19/h3-11,15,17H,1-2H3,(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260463 (CHEMBL4098532) Show SMILES CN1C=CN(C=C1)C1SC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C15H18N4O2S2/c1-12-11-19(13-3-5-14(6-4-13)23(16,20)21)15(22-12)18-9-7-17(2)8-10-18/h3-11,15H,1-2H3,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260475 (CHEMBL4062878) Show SMILES CN1C=CC(C=C1)C1OC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H19N3O3S/c1-12-11-19(14-3-5-15(6-4-14)23(17,20)21)16(22-12)13-7-9-18(2)10-8-13/h3-11,13,16H,1-2H3,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50260461 (CHEMBL4090810) Show SMILES CN1C=CN(C=C1)C1OC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C15H18N4O3S/c1-12-11-19(13-3-5-14(6-4-13)23(16,20)21)15(22-12)18-9-7-17(2)8-10-18/h3-11,15H,1-2H3,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	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 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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260464 (CHEMBL4071383) Show SMILES CN1C=CN(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C15H16F3N5O2S/c1-21-6-8-22(9-7-21)14-20-13(15(16,17)18)10-23(14)11-2-4-12(5-3-11)26(19,24)25/h2-10,14,20H,1H3,(H2,19,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260465 (CHEMBL4101003) Show SMILES CN1C=CC(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C16H16F3N3O3S/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260467 (CHEMBL4101946) Show SMILES CN1C=CN(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C15H15F3N4O2S2/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260470 (CHEMBL4063353) Show SMILES CN1C=CN(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C15H15Cl3N4O3S/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260472 (CHEMBL4061498) Show SMILES CN1C=CC(C=C1)C1NC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H20N4O2S/c1-12-11-20(14-3-5-15(6-4-14)23(17,21)22)16(18-12)13-7-9-19(2)10-8-13/h3-11,13,16,18H,1-2H3,(H2,17,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260477 (CHEMBL4083020) Show SMILES CN1C=CN(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C15H15F3N4O3S/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260462 (CHEMBL4071496) Show SMILES CN1C=CC(C=C1)C1SC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H19N3O2S2/c1-12-11-19(14-3-5-15(6-4-14)23(17,20)21)16(22-12)13-7-9-18(2)10-8-13/h3-11,13,16H,1-2H3,(H2,17,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260476 (CHEMBL4093268) Show SMILES CN1C=CC(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C16H17F3N4O2S/c1-22-8-6-11(7-9-22)15-21-14(16(17,18)19)10-23(15)12-2-4-13(5-3-12)26(20,24)25/h2-11,15,21H,1H3,(H2,20,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260463 (CHEMBL4098532) Show SMILES CN1C=CN(C=C1)C1SC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C15H18N4O2S2/c1-12-11-19(13-3-5-14(6-4-13)23(16,20)21)15(22-12)18-9-7-17(2)8-10-18/h3-11,15H,1-2H3,(H2,16,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260466 (CHEMBL4077676) Show SMILES CN1C=CC(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10| Show InChI InChI=1S/C16H16F3N3O2S2/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260469 (CHEMBL4091214) Show SMILES CN1C=CC(C=C1)C1OC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C16H16Cl3N3O3S/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260478 (CHEMBL4101416) Show SMILES CN1C=CN(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C15H16Cl3N5O2S/c1-21-6-8-22(9-7-21)14-20-13(15(16,17)18)10-23(14)11-2-4-12(5-3-11)26(19,24)25/h2-10,14,20H,1H3,(H2,19,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260474 (CHEMBL4071978) Show SMILES CN1C=CN(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C15H15Cl3N4O2S2/c1-20-6-8-21(9-7-20)14-22(10-13(25-14)15(16,17)18)11-2-4-12(5-3-11)26(19,23)24/h2-10,14H,1H3,(H2,19,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260468 (CHEMBL4083426) Show SMILES CN1C=CC(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C16H17Cl3N4O2S/c1-22-8-6-11(7-9-22)15-21-14(16(17,18)19)10-23(15)12-2-4-13(5-3-12)26(20,24)25/h2-11,15,21H,1H3,(H2,20,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260473 (CHEMBL4073148) Show SMILES CN1C=CN(C=C1)C1NC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C15H19N5O2S/c1-12-11-20(13-3-5-14(6-4-13)23(16,21)22)15(17-12)19-9-7-18(2)8-10-19/h3-11,15,17H,1-2H3,(H2,16,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260475 (CHEMBL4062878) Show SMILES CN1C=CC(C=C1)C1OC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H19N3O3S/c1-12-11-19(14-3-5-15(6-4-14)23(17,20)21)16(22-12)13-7-9-18(2)10-8-13/h3-11,13,16H,1-2H3,(H2,17,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260471 (CHEMBL4098954) Show SMILES CN1C=CC(C=C1)C1SC(=CN1c1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl |c:2,5,10| Show InChI InChI=1S/C16H16Cl3N3O2S2/c1-21-8-6-11(7-9-21)15-22(10-14(25-15)16(17,18)19)12-2-4-13(5-3-12)26(20,23)24/h2-11,15H,1H3,(H2,20,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (RAT)	BDBM50260461 (CHEMBL4090810) Show SMILES CN1C=CN(C=C1)C1OC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C15H18N4O3S/c1-12-11-19(13-3-5-14(6-4-13)23(16,20)21)15(22-12)18-9-7-17(2)8-10-18/h3-11,15H,1-2H3,(H2,16,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair