Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'yu' and Initial = 'yg'   

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 E synthase (Homo sapiens (Human))	BDBM50402855 (CHEMBL2204881) Show SMILES CN(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H14N6O6/c1-19(15(23)17-11-4-8-13(9-5-11)21(26)27)18-14(22)16-10-2-6-12(7-3-10)20(24)25/h2-9H,1H3,(H,17,23)(H2,16,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Kookmin University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES1				Bioorg Med Chem Lett 22: 7335-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.085 BindingDB Entry DOI: 10.7270/Q2VH5Q04
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424306 (CHEMBL2314485) Show SMILES OC(=O)c1nnn(CCN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C(O)=O Show InChI InChI=1S/C18H16N4O6S/c23-17(24)15-16(18(25)26)21(20-19-15)11-12-22(13-7-3-1-4-8-13)29(27,28)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50402856 (CHEMBL2204877) Show SMILES Oc1ccc(Br)cc1C(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C20H15BrO3/c21-16-8-11-19(22)18(12-16)20(23)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12,22H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kookmin University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES1				Bioorg Med Chem Lett 22: 7335-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.085 BindingDB Entry DOI: 10.7270/Q2VH5Q04
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50402854 (CHEMBL2204882) Show SMILES O=C(Oc1ccccc1)N(NS(=O)(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H16N2O4S/c22-19(25-17-12-6-2-7-13-17)21(16-10-4-1-5-11-16)20-26(23,24)18-14-8-3-9-15-18/h1-15,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kookmin University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES1				Bioorg Med Chem Lett 22: 7335-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.085 BindingDB Entry DOI: 10.7270/Q2VH5Q04
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kookmin University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC method				Bioorg Med Chem Lett 22: 7335-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.085 BindingDB Entry DOI: 10.7270/Q2VH5Q04
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424312 (CHEMBL2314488) Show SMILES OC(=O)c1nnn(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1C(O)=O Show InChI InChI=1S/C13H11F3N4O6S/c14-13(15,16)7-3-1-2-4-8(7)27(25,26)17-5-6-20-10(12(23)24)9(11(21)22)18-19-20/h1-4,17H,5-6H2,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424313 (CHEMBL2314487) Show SMILES CCCN(CCn1nnc(C(O)=O)c1C(O)=O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C16H20N4O6S/c1-3-8-19(27(25,26)12-6-4-11(2)5-7-12)9-10-20-14(16(23)24)13(15(21)22)17-18-20/h4-7H,3,8-10H2,1-2H3,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424307 (CHEMBL2314484) Show SMILES CN(CCn1nnc(C(O)=O)c1C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H14N4O6S/c1-16(24(22,23)9-5-3-2-4-6-9)7-8-17-11(13(20)21)10(12(18)19)14-15-17/h2-6H,7-8H2,1H3,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424308 (CHEMBL2314483) Show SMILES OC(=O)c1nnn(CCNS(=O)(=O)c2ccccc2)c1C(O)=O Show InChI InChI=1S/C12H12N4O6S/c17-11(18)9-10(12(19)20)16(15-14-9)7-6-13-23(21,22)8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424314 (CHEMBL2314486) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCn1nnc(C(O)=O)c1C(O)=O Show InChI InChI=1S/C13H14N4O6S/c1-8-2-4-9(5-3-8)24(22,23)14-6-7-17-11(13(20)21)10(12(18)19)15-16-17/h2-5,14H,6-7H2,1H3,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424304 (CHEMBL2314489) Show SMILES OC(=O)c1nnn(CCNS(=O)(=O)c2cccc(c2)C(F)(F)F)c1C(O)=O Show InChI InChI=1S/C13H11F3N4O6S/c14-13(15,16)7-2-1-3-8(6-7)27(25,26)17-4-5-20-10(12(23)24)9(11(21)22)18-19-20/h1-3,6,17H,4-5H2,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424305 (CHEMBL2314492) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCn1nnc(C(O)=O)c1C(O)=O Show InChI InChI=1S/C14H16N4O6S/c1-9-3-5-10(6-4-9)25(23,24)15-7-2-8-18-12(14(21)22)11(13(19)20)16-17-18/h3-6,15H,2,7-8H2,1H3,(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424311 (CHEMBL2314480) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCn1nnc(C(O)=O)c1C(O)=O Show InChI InChI=1S/C12H12N4O6S/c1-7-2-4-8(5-3-7)23(21,22)13-6-16-10(12(19)20)9(11(17)18)14-15-16/h2-5,13H,6H2,1H3,(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424309 (CHEMBL2314482) Show SMILES CCS(=O)(=O)NCCn1nnc(C(O)=O)c1C(O)=O Show InChI InChI=1S/C8H12N4O6S/c1-2-19(17,18)9-3-4-12-6(8(15)16)5(7(13)14)10-11-12/h9H,2-4H2,1H3,(H,13,14)(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424310 (CHEMBL2314481) Show SMILES CS(=O)(=O)NCCn1nnc(C(O)=O)c1C(O)=O Show InChI InChI=1S/C7H10N4O6S/c1-18(16,17)8-2-3-11-5(7(14)15)4(6(12)13)9-10-11/h8H,2-3H2,1H3,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424303 (CHEMBL2314490) Show SMILES COC(=O)c1nnn(CCNS(=O)(=O)c2ccccc2)c1C(=O)OC Show InChI InChI=1S/C14H16N4O6S/c1-23-13(19)11-12(14(20)24-2)18(17-16-11)9-8-15-25(21,22)10-6-4-3-5-7-10/h3-7,15H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kookmin University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC method				Bioorg Med Chem Lett 22: 7335-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.085 BindingDB Entry DOI: 10.7270/Q2VH5Q04
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50424315 (CHEMBL2314491) Show SMILES NOC(=O)c1nnn(CCNS(=O)(=O)c2ccccc2)c1C(=O)ON Show InChI InChI=1S/C12H14N6O6S/c13-23-11(19)9-10(12(20)24-14)18(17-16-9)7-6-15-25(21,22)8-4-2-1-3-5-8/h1-5,15H,6-7,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...				Bioorg Med Chem Lett 23: 75-80 (2012) Article DOI: 10.1016/j.bmcl.2012.11.019 BindingDB Entry DOI: 10.7270/Q2DB8359
					More data for this Ligand-Target Pair