Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50033795   

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 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG 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	6	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50097346 ((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...) Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50322460 (2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...) Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50097346 ((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...) Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50322460 (2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...) Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50273683 (2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...) Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50322461 (2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...) Show SMILES CCCCC(Sc1nc(OCCc2ccc(cc2)C(F)(F)F)cc(OCCc2ccc(cc2)C(F)(F)F)n1)C(O)=O Show InChI InChI=1S/C28H28F6N2O4S/c1-2-3-4-22(25(37)38)41-26-35-23(39-15-13-18-5-9-20(10-6-18)27(29,30)31)17-24(36-26)40-16-14-19-7-11-21(12-8-19)28(32,33)34/h5-12,17,22H,2-4,13-16H2,1H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50322461 (2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...) Show SMILES CCCCC(Sc1nc(OCCc2ccc(cc2)C(F)(F)F)cc(OCCc2ccc(cc2)C(F)(F)F)n1)C(O)=O Show InChI InChI=1S/C28H28F6N2O4S/c1-2-3-4-22(25(37)38)41-26-35-23(39-15-13-18-5-9-20(10-6-18)27(29,30)31)17-24(36-26)40-16-14-19-7-11-21(12-8-19)28(32,33)34/h5-12,17,22H,2-4,13-16H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273683 (2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...) Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351427 (CHEMBL1819482) Show SMILES CCCCC(Cc1ccc(OCCC2CCCCC2)c(OCCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C29H40O4/c1-2-3-14-26(29(30)31)21-25-15-16-27(32-19-17-23-10-6-4-7-11-23)28(22-25)33-20-18-24-12-8-5-9-13-24/h5,8-9,12-13,15-16,22-23,26H,2-4,6-7,10-11,14,17-21H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351428 (CHEMBL1819483) Show SMILES CCCCC(Cc1ccc(OCCc2ccccc2)c(OCCC2CCCCC2)c1)C(O)=O Show InChI InChI=1S/C29H40O4/c1-2-3-14-26(29(30)31)21-25-15-16-27(32-19-17-23-10-6-4-7-11-23)28(22-25)33-20-18-24-12-8-5-9-13-24/h4,6-7,10-11,15-16,22,24,26H,2-3,5,8-9,12-14,17-21H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351426 (CHEMBL1819481) Show SMILES CCCCC(Cc1ccc(OCCC2CCCCC2)c(OCCC2CCCCC2)c1)C(O)=O Show InChI InChI=1S/C29H46O4/c1-2-3-14-26(29(30)31)21-25-15-16-27(32-19-17-23-10-6-4-7-11-23)28(22-25)33-20-18-24-12-8-5-9-13-24/h15-16,22-24,26H,2-14,17-21H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351425 (CHEMBL1819478) Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H30F6O4/c1-2-3-4-23(29(38)39)19-24-20-27(40-17-15-21-5-9-25(10-6-21)30(32,33)34)13-14-28(24)41-18-16-22-7-11-26(12-8-22)31(35,36)37/h5-14,19-20H,2-4,15-18H2,1H3,(H,38,39)/b23-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351424 (CHEMBL1819397) Show SMILES CCCC\C(=C/c1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(O)=O Show InChI InChI=1S/C29H32O4/c1-2-3-14-25(29(30)31)21-26-22-27(32-19-17-23-10-6-4-7-11-23)15-16-28(26)33-20-18-24-12-8-5-9-13-24/h4-13,15-16,21-22H,2-3,14,17-20H2,1H3,(H,30,31)/b25-21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351423 (CHEMBL1819396) Show SMILES CCCCC(Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(O)=O Show InChI InChI=1S/C29H34O4/c1-2-3-14-25(29(30)31)21-26-22-27(32-19-17-23-10-6-4-7-11-23)15-16-28(26)33-20-18-24-12-8-5-9-13-24/h4-13,15-16,22,25H,2-3,14,17-21H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351422 (CHEMBL1819394) Show SMILES CCCCC(Cc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C29H34O4/c1-2-3-14-26(29(30)31)21-25-15-16-27(32-19-17-23-10-6-4-7-11-23)28(22-25)33-20-18-24-12-8-5-9-13-24/h4-13,15-16,22,26H,2-3,14,17-21H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351421 (CHEMBL1819393) Show SMILES CCCCC(Cc1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(O)=O Show InChI InChI=1S/C29H34O4/c1-2-3-15-26(29(30)31)22-25-16-10-17-27(32-20-18-23-11-6-4-7-12-23)28(25)33-21-19-24-13-8-5-9-14-24/h4-14,16-17,26H,2-3,15,18-22H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351420 (CHEMBL1817687) Show SMILES CCCCC(Oc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C28H32O5/c1-2-3-14-27(28(29)30)33-26-20-24(31-17-15-22-10-6-4-7-11-22)19-25(21-26)32-18-16-23-12-8-5-9-13-23/h4-13,19-21,27H,2-3,14-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351419 (CHEMBL1819392) Show SMILES CCCCC(Sc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C28H32O4S/c1-2-3-14-27(28(29)30)33-26-20-24(31-17-15-22-10-6-4-7-11-22)19-25(21-26)32-18-16-23-12-8-5-9-13-23/h4-13,19-21,27H,2-3,14-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351418 (CHEMBL1819391) Show SMILES CCCC\C(=C/c1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C29H32O4/c1-2-3-14-26(29(30)31)19-25-20-27(32-17-15-23-10-6-4-7-11-23)22-28(21-25)33-18-16-24-12-8-5-9-13-24/h4-13,19-22H,2-3,14-18H2,1H3,(H,30,31)/b26-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50351417 (CHEMBL1819390) Show SMILES CCCCC(Cc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C29H34O4/c1-2-3-14-26(29(30)31)19-25-20-27(32-17-15-23-10-6-4-7-11-23)22-28(21-25)33-18-16-24-12-8-5-9-13-24/h4-13,20-22,26H,2-3,14-19H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322460 (2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...) Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50273683 (2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...) Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322461 (2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...) Show SMILES CCCCC(Sc1nc(OCCc2ccc(cc2)C(F)(F)F)cc(OCCc2ccc(cc2)C(F)(F)F)n1)C(O)=O Show InChI InChI=1S/C28H28F6N2O4S/c1-2-3-4-22(25(37)38)41-26-35-23(39-15-13-18-5-9-20(10-6-18)27(29,30)31)17-24(36-26)40-16-14-19-7-11-21(12-8-19)28(32,33)34/h5-12,17,22H,2-4,13-16H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair