Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'liu' and Initial = 'qx'   

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))	BDBM50512017 (CHEMBL4552101) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C22H24FN5O4S/c23-17-3-1-16(2-4-17)21-15-20(22(29)25-9-10-27-11-13-32-14-12-27)26-28(21)18-5-7-19(8-6-18)33(24,30)31/h1-8,15H,9-14H2,(H,25,29)(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512029 (CHEMBL4445481) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C24H26F3N5O4S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(33)29-10-1-11-31-12-14-36-15-13-31)30-32(22)19-6-8-20(9-7-19)37(28,34)35/h2-9,16H,1,10-15H2,(H,29,33)(H2,28,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512044 (CHEMBL4529375) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(F)c1)C(=O)N1CCSCC1 Show InChI InChI=1S/C20H19FN4O3S2/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512028 (CHEMBL4462245) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)N1CCSCC1 Show InChI InChI=1S/C21H19F3N4O3S2/c22-21(23,24)15-3-1-14(2-4-15)19-13-18(20(29)27-9-11-32-12-10-27)26-28(19)16-5-7-17(8-6-16)33(25,30)31/h1-8,13H,9-12H2,(H2,25,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512024 (CHEMBL4476757) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C23H23F3N4O5S/c24-23(25,26)17-3-1-16(2-4-17)21-15-20(22(31)35-14-11-29-9-12-34-13-10-29)28-30(21)18-5-7-19(8-6-18)36(27,32)33/h1-8,15H,9-14H2,(H2,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512040 (CHEMBL4440974) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)N1CCSCC1 Show InChI InChI=1S/C20H19ClN4O3S2/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512023 (CHEMBL4439374) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C22H23FN4O5S/c23-17-3-1-16(2-4-17)21-15-20(22(28)32-14-11-26-9-12-31-13-10-26)25-27(21)18-5-7-19(8-6-18)33(24,29)30/h1-8,15H,9-14H2,(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512025 (CHEMBL4451916) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C24H25F3N4O5S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(32)36-13-1-10-30-11-14-35-15-12-30)29-31(22)19-6-8-20(9-7-19)37(28,33)34/h2-9,16H,1,10-15H2,(H2,28,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512032 (CHEMBL4443996) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)N1CCSCC1 Show InChI InChI=1S/C20H19FN4O3S2/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512050 (CHEMBL4553947) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)N1CCSCC1 Show InChI InChI=1S/C20H19ClN4O3S2/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512030 (CHEMBL4521969) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(F)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512033 (CHEMBL4447638) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN4O4S/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512031 (CHEMBL4532080) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19ClN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512047 (CHEMBL4530289) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C22H23ClN4O5S/c23-17-3-1-16(2-4-17)21-15-20(22(28)32-14-11-26-9-12-31-13-10-26)25-27(21)18-5-7-19(8-6-18)33(24,29)30/h1-8,15H,9-14H2,(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512011 (CHEMBL4560235) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C22H24ClN5O4S/c23-17-3-1-16(2-4-17)21-15-20(22(29)25-9-10-27-11-13-32-14-12-27)26-28(21)18-5-7-19(8-6-18)33(24,30)31/h1-8,15H,9-14H2,(H,25,29)(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512035 (CHEMBL4467569) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19BrN4O4S/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512045 (CHEMBL4569221) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19ClN4O4S/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512041 (CHEMBL4545277) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H19F3N4O4S/c22-21(23,24)15-3-1-14(2-4-15)19-13-18(20(29)27-9-11-32-12-10-27)26-28(19)16-5-7-17(8-6-16)33(25,30)31/h1-8,13H,9-12H2,(H2,25,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512020 (CHEMBL4438116) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C23H27N5O4S/c24-33(30,31)20-9-7-19(8-10-20)28-22(18-5-2-1-3-6-18)17-21(26-28)23(29)25-11-4-12-27-13-15-32-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512037 (CHEMBL4473603) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C23H26N4O5S/c24-33(29,30)20-9-7-19(8-10-20)27-22(18-5-2-1-3-6-18)17-21(25-27)23(28)32-14-4-11-26-12-15-31-16-13-26/h1-3,5-10,17H,4,11-16H2,(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512021 (CHEMBL4540871) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C22H25N5O4S/c23-32(29,30)19-8-6-18(7-9-19)27-21(17-4-2-1-3-5-17)16-20(25-27)22(28)24-10-11-26-12-14-31-15-13-26/h1-9,16H,10-15H2,(H,24,28)(H2,23,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512019 (CHEMBL4559201) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N1CCSCC1 Show InChI InChI=1S/C20H20N4O3S2/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512029 (CHEMBL4445481) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C24H26F3N5O4S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(33)29-10-1-11-31-12-14-36-15-13-31)30-32(22)19-6-8-20(9-7-19)37(28,34)35/h2-9,16H,1,10-15H2,(H,29,33)(H2,28,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512016 (CHEMBL4458211) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H20N4O4S/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori)	BDBM50467083 (CHEMBL4293995) Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-[#6](=O)-[#7]\[#7]=[#6]-1\[#6](=O)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c2ccccc-12 Show InChI InChI=1S/C22H23N3O4/c1-14(2)11-12-25-17-8-6-5-7-16(17)20(22(25)27)23-24-21(26)15-9-10-18(28-3)19(13-15)29-4/h5-11,13H,12H2,1-4H3,(H,24,26)/b23-20+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori urease after 50 mins by indophenol method				Bioorg Med Chem Lett 28: 3182-3186 (2018) Article DOI: 10.1016/j.bmcl.2018.08.025 BindingDB Entry DOI: 10.7270/Q2PN9894
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512028 (CHEMBL4462245) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)N1CCSCC1 Show InChI InChI=1S/C21H19F3N4O3S2/c22-21(23,24)15-3-1-14(2-4-15)19-13-18(20(29)27-9-11-32-12-10-27)26-28(19)16-5-7-17(8-6-16)33(25,30)31/h1-8,13H,9-12H2,(H2,25,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512049 (CHEMBL4520676) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C24H29N5O5S/c1-33-20-7-3-18(4-8-20)23-17-22(24(30)26-11-2-12-28-13-15-34-16-14-28)27-29(23)19-5-9-21(10-6-19)35(25,31)32/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H2,25,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512018 (CHEMBL4569865) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C25H30N4O6S/c1-2-34-21-8-4-19(5-9-21)24-18-23(25(30)35-15-3-12-28-13-16-33-17-14-28)27-29(24)20-6-10-22(11-7-20)36(26,31)32/h4-11,18H,2-3,12-17H2,1H3,(H2,26,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512048 (CHEMBL4475455) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C23H25FN4O5S/c24-18-4-2-17(3-5-18)22-16-21(23(29)33-13-1-10-27-11-14-32-15-12-27)26-28(22)19-6-8-20(9-7-19)34(25,30)31/h2-9,16H,1,10-15H2,(H2,25,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512025 (CHEMBL4451916) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C24H25F3N4O5S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(32)36-13-1-10-30-11-14-35-15-12-30)29-31(22)19-6-8-20(9-7-19)37(28,33)34/h2-9,16H,1,10-15H2,(H2,28,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512039 (CHEMBL4441218) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C24H28N4O6S/c1-2-33-20-7-3-18(4-8-20)23-17-22(24(29)34-16-13-27-11-14-32-15-12-27)26-28(23)19-5-9-21(10-6-19)35(25,30)31/h3-10,17H,2,11-16H2,1H3,(H2,25,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512024 (CHEMBL4476757) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C23H23F3N4O5S/c24-23(25,26)17-3-1-16(2-4-17)21-15-20(22(31)35-14-11-29-9-12-34-13-10-29)28-30(21)18-5-7-19(8-6-18)36(27,32)33/h1-8,15H,9-14H2,(H2,27,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512037 (CHEMBL4473603) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C23H26N4O5S/c24-33(29,30)20-9-7-19(8-10-20)27-22(18-5-2-1-3-6-18)17-21(25-27)23(28)32-14-4-11-26-12-15-31-16-13-26/h1-3,5-10,17H,4,11-16H2,(H2,24,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512023 (CHEMBL4439374) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C22H23FN4O5S/c23-17-3-1-16(2-4-17)21-15-20(22(28)32-14-11-26-9-12-31-13-10-26)25-27(21)18-5-7-19(8-6-18)33(24,29)30/h1-8,15H,9-14H2,(H2,24,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512027 (CHEMBL4455944) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C25H31N5O5S/c1-2-35-21-8-4-19(5-9-21)24-18-23(25(31)27-12-3-13-29-14-16-34-17-15-29)28-30(24)20-6-10-22(11-7-20)36(26,32)33/h4-11,18H,2-3,12-17H2,1H3,(H,27,31)(H2,26,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512014 (CHEMBL4532838) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C24H29N5O5S/c1-2-34-20-7-3-18(4-8-20)23-17-22(24(30)26-11-12-28-13-15-33-16-14-28)27-29(23)19-5-9-21(10-6-19)35(25,31)32/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H2,25,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512022 (CHEMBL4460665) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C23H25ClN4O5S/c24-18-4-2-17(3-5-18)22-16-21(23(29)33-13-1-10-27-11-14-32-15-12-27)26-28(22)19-6-8-20(9-7-19)34(25,30)31/h2-9,16H,1,10-15H2,(H2,25,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512014 (CHEMBL4532838) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C24H29N5O5S/c1-2-34-20-7-3-18(4-8-20)23-17-22(24(30)26-11-12-28-13-15-33-16-14-28)27-29(23)19-5-9-21(10-6-19)35(25,31)32/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H2,25,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512038 (CHEMBL4553634) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C24H28N4O6S/c1-32-20-7-3-18(4-8-20)23-17-22(24(29)34-14-2-11-27-12-15-33-16-13-27)26-28(23)19-5-9-21(10-6-19)35(25,30)31/h3-10,17H,2,11-16H2,1H3,(H2,25,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512040 (CHEMBL4440974) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)N1CCSCC1 Show InChI InChI=1S/C20H19ClN4O3S2/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512026 (CHEMBL4440769) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H27N5O5S/c1-32-19-6-2-17(3-7-19)22-16-21(23(29)25-10-11-27-12-14-33-15-13-27)26-28(22)18-4-8-20(9-5-18)34(24,30)31/h2-9,16H,10-15H2,1H3,(H,25,29)(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512047 (CHEMBL4530289) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C22H23ClN4O5S/c23-17-3-1-16(2-4-17)21-15-20(22(28)32-14-11-26-9-12-31-13-10-26)25-27(21)18-5-7-19(8-6-18)33(24,29)30/h1-8,15H,9-14H2,(H2,24,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512011 (CHEMBL4560235) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C22H24ClN5O4S/c23-17-3-1-16(2-4-17)21-15-20(22(29)25-9-10-27-11-13-32-14-12-27)26-28(21)18-5-7-19(8-6-18)33(24,30)31/h1-8,15H,9-14H2,(H,25,29)(H2,24,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512046 (CHEMBL4515463) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCSCC1 Show InChI InChI=1S/C21H22N4O3S2/c1-15-2-4-16(5-3-15)20-14-19(21(26)24-10-12-29-13-11-24)23-25(20)17-6-8-18(9-7-17)30(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512033 (CHEMBL4447638) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN4O4S/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512026 (CHEMBL4440769) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H27N5O5S/c1-32-19-6-2-17(3-7-19)22-16-21(23(29)25-10-11-27-12-14-33-15-13-27)26-28(22)18-4-8-20(9-5-18)34(24,30)31/h2-9,16H,10-15H2,1H3,(H,25,29)(H2,24,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50512027 (CHEMBL4455944) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C25H31N5O5S/c1-2-35-21-8-4-19(5-9-21)24-18-23(25(31)27-12-3-13-29-14-16-34-17-15-29)28-30(24)20-6-10-22(11-7-20)36(26,32)33/h4-11,18H,2-3,12-17H2,1H3,(H,27,31)(H2,26,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50512020 (CHEMBL4438116) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C23H27N5O4S/c24-33(30,31)20-9-7-19(8-10-20)28-22(18-5-2-1-3-6-18)17-21(26-28)23(29)25-11-4-12-27-13-15-32-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H2,24,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
					More data for this Ligand-Target Pair

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