Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'crestani' and Initial = 'm'   

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
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	74	-40.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Consiglio Nazionale delle Ricerche					Assay Description The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...				J Med Chem 55: 37-54 (2012) Article DOI: 10.1021/jm201306q BindingDB Entry DOI: 10.7270/Q23N24JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28762 ((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	88	-39.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Consiglio Nazionale delle Ricerche					Assay Description The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28762 ((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...				J Med Chem 55: 37-54 (2012) Article DOI: 10.1021/jm201306q BindingDB Entry DOI: 10.7270/Q23N24JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28763 ((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	971	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...				J Med Chem 55: 37-54 (2012) Article DOI: 10.1021/jm201306q BindingDB Entry DOI: 10.7270/Q23N24JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28763 ((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	971	-34.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Consiglio Nazionale delle Ricerche					Assay Description The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28760 ((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	5.93E+3	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					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	40	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28760 ((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM28760 ((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					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	14.8	3.80	n/a	n/a	7.5	37
Consiglio Nazionale delle Ricerche					Assay Description Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28762 ((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	685	73.3	n/a	n/a	7.5	37
Consiglio Nazionale delle Ricerche					Assay Description Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28763 ((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.98E+3	593	n/a	n/a	7.5	37
Consiglio Nazionale delle Ricerche					Assay Description Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062511 (CHEMBL3397563) Show SMILES CCCO\N=C(\c1ccccc1)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C25H25NO4/c1-2-17-29-26-24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)30-23(25(27)28)18-19-9-5-3-6-10-19/h3-16,23H,2,17-18H2,1H3,(H,27,28)/b26-24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)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/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062512 (CHEMBL3397562) Show SMILES CCCO\N=C(/c1ccccc1)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C25H25NO4/c1-2-17-29-26-24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)30-23(25(27)28)18-19-9-5-3-6-10-19/h3-16,23H,2,17-18H2,1H3,(H,27,28)/b26-24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062513 (CHEMBL3397561) Show SMILES O\N=C(/c1ccccc1)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H19NO4/c24-22(25)20(15-16-7-3-1-4-8-16)27-19-13-11-18(12-14-19)21(23-26)17-9-5-2-6-10-17/h1-14,20,26H,15H2,(H,24,25)/b23-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062514 (CHEMBL3397560) Show SMILES C\C(=N/O)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C17H17NO4/c1-12(18-21)14-7-9-15(10-8-14)22-16(17(19)20)11-13-5-3-2-4-6-13/h2-10,16,21H,11H2,1H3,(H,19,20)/b18-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062509 (CHEMBL3397548) Show SMILES O\N=C\c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C16H15NO4/c18-16(19)15(10-12-4-2-1-3-5-12)21-14-8-6-13(7-9-14)11-17-20/h1-9,11,15,20H,10H2,(H,18,19)/b17-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.75E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062528 (CHEMBL3397549) Show SMILES O\N=C\c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H15NO4/c18-16(19)15(10-12-4-2-1-3-5-12)21-14-8-6-13(7-9-14)11-17-20/h1-9,11,15,20H,10H2,(H,18,19)/b17-11+/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062527 (CHEMBL3397550) Show SMILES [Na+].CO\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1 Show InChI InChI=1S/C17H17NO4.Na/c1-21-18-12-14-7-9-15(10-8-14)22-16(17(19)20)11-13-5-3-2-4-6-13;/h2-10,12,16H,11H2,1H3,(H,19,20);/q;+1/p-1/b18-12+;	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	1.28E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062525 (CHEMBL3397551) Show SMILES CCCO\N=C\c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C19H21NO4/c1-2-12-23-20-14-16-8-10-17(11-9-16)24-18(19(21)22)13-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13H2,1H3,(H,21,22)/b20-14+	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	7.90E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062524 (CHEMBL3397552) Show SMILES CCCO\N=C\c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H21NO4/c1-2-12-23-20-14-16-8-10-17(11-9-16)24-18(19(21)22)13-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13H2,1H3,(H,21,22)/b20-14+/t18-/m0/s1	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	3.80E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062523 (CHEMBL3397553) Show SMILES CCCCO\N=C\c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C20H23NO4/c1-2-3-13-24-21-15-17-9-11-18(12-10-17)25-19(20(22)23)14-16-7-5-4-6-8-16/h4-12,15,19H,2-3,13-14H2,1H3,(H,22,23)/b21-15+	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	3.65E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062515 (CHEMBL3397559) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(\C=N\OCCCc2ccccc2)cc1 Show InChI InChI=1S/C25H25NO4/c27-25(28)24(18-21-10-5-2-6-11-21)30-23-15-13-22(14-16-23)19-26-29-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16,19,24H,7,12,17-18H2,(H,27,28)/b26-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062521 (CHEMBL3397555) Show SMILES [Na+].CC(C)O\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1 Show InChI InChI=1S/C19H21NO4.Na/c1-14(2)24-20-13-16-8-10-17(11-9-16)23-18(19(21)22)12-15-6-4-3-5-7-15;/h3-11,13-14,18H,12H2,1-2H3,(H,21,22);/q;+1/p-1/b20-13+;	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	5.60E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062519 (CHEMBL3397556) Show SMILES [Na+].CC(C)CO\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1 Show InChI InChI=1S/C20H23NO4.Na/c1-15(2)14-24-21-13-17-8-10-18(11-9-17)25-19(20(22)23)12-16-6-4-3-5-7-16;/h3-11,13,15,19H,12,14H2,1-2H3,(H,22,23);/q;+1/p-1/b21-13+;	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	4.50E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062517 (CHEMBL3397557) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(\C=N\OCc2ccccc2)cc1 Show InChI InChI=1S/C23H21NO4/c25-23(26)22(15-18-7-3-1-4-8-18)28-21-13-11-19(12-14-21)16-24-27-17-20-9-5-2-6-10-20/h1-14,16,22H,15,17H2,(H,25,26)/b24-16+	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	2.10E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062516 (CHEMBL3397558) Show SMILES [Na+].[O-]C(=O)C(Cc1ccccc1)Oc1ccc(\C=N\OCCc2ccccc2)cc1 Show InChI InChI=1S/C24H23NO4.Na/c26-24(27)23(17-20-9-5-2-6-10-20)29-22-13-11-21(12-14-22)18-25-28-16-15-19-7-3-1-4-8-19;/h1-14,18,23H,15-17H2,(H,26,27);/q;+1/p-1/b25-18+;	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
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062519 (CHEMBL3397556) Show SMILES [Na+].CC(C)CO\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1 Show InChI InChI=1S/C20H23NO4.Na/c1-15(2)14-24-21-13-17-8-10-18(11-9-17)25-19(20(22)23)12-16-6-4-3-5-7-16;/h3-11,13,15,19H,12,14H2,1-2H3,(H,22,23);/q;+1/p-1/b21-13+;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062521 (CHEMBL3397555) Show SMILES [Na+].CC(C)O\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1 Show InChI InChI=1S/C19H21NO4.Na/c1-14(2)24-20-13-16-8-10-17(11-9-16)23-18(19(21)22)12-15-6-4-3-5-7-15;/h3-11,13-14,18H,12H2,1-2H3,(H,21,22);/q;+1/p-1/b20-13+;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062523 (CHEMBL3397553) Show SMILES CCCCO\N=C\c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C20H23NO4/c1-2-3-13-24-21-15-17-9-11-18(12-10-17)25-19(20(22)23)14-16-7-5-4-6-8-16/h4-12,15,19H,2-3,13-14H2,1H3,(H,22,23)/b21-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062524 (CHEMBL3397552) Show SMILES CCCO\N=C\c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H21NO4/c1-2-12-23-20-14-16-8-10-17(11-9-16)24-18(19(21)22)13-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13H2,1H3,(H,21,22)/b20-14+/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062525 (CHEMBL3397551) Show SMILES CCCO\N=C\c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C19H21NO4/c1-2-12-23-20-14-16-8-10-17(11-9-16)24-18(19(21)22)13-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13H2,1H3,(H,21,22)/b20-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062527 (CHEMBL3397550) Show SMILES [Na+].CO\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1 Show InChI InChI=1S/C17H17NO4.Na/c1-21-18-12-14-7-9-15(10-8-14)22-16(17(19)20)11-13-5-3-2-4-6-13;/h2-10,12,16H,11H2,1H3,(H,19,20);/q;+1/p-1/b18-12+;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062528 (CHEMBL3397549) Show SMILES O\N=C\c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H15NO4/c18-16(19)15(10-12-4-2-1-3-5-12)21-14-8-6-13(7-9-14)11-17-20/h1-9,11,15,20H,10H2,(H,18,19)/b17-11+/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062516 (CHEMBL3397558) Show SMILES [Na+].[O-]C(=O)C(Cc1ccccc1)Oc1ccc(\C=N\OCCc2ccccc2)cc1 Show InChI InChI=1S/C24H23NO4.Na/c26-24(27)23(17-20-9-5-2-6-10-20)29-22-13-11-21(12-14-22)18-25-28-16-15-19-7-3-1-4-8-19;/h1-14,18,23H,15-17H2,(H,26,27);/q;+1/p-1/b25-18+;	PDB UniProtKB/SwissProt 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
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50062517 (CHEMBL3397557) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(\C=N\OCc2ccccc2)cc1 Show InChI InChI=1S/C23H21NO4/c25-23(26)22(15-18-7-3-1-4-8-18)28-21-13-11-19(12-14-21)16-24-27-17-20-9-5-2-6-10-20/h1-14,16,22H,15,17H2,(H,25,26)/b24-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062515 (CHEMBL3397559) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(\C=N\OCCCc2ccccc2)cc1 Show InChI InChI=1S/C25H25NO4/c27-25(28)24(18-21-10-5-2-6-11-21)30-23-15-13-22(14-16-23)19-26-29-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16,19,24H,7,12,17-18H2,(H,27,28)/b26-19+	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	1.25E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062514 (CHEMBL3397560) Show SMILES C\C(=N/O)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C17H17NO4/c1-12(18-21)14-7-9-15(10-8-14)22-16(17(19)20)11-13-5-3-2-4-6-13/h2-10,16,21H,11H2,1H3,(H,19,20)/b18-12+	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	9.40E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062513 (CHEMBL3397561) Show SMILES O\N=C(/c1ccccc1)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H19NO4/c24-22(25)20(15-16-7-3-1-4-8-16)27-19-13-11-18(12-14-19)21(23-26)17-9-5-2-6-10-17/h1-14,20,26H,15H2,(H,24,25)/b23-21+	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	1.24E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062512 (CHEMBL3397562) Show SMILES CCCO\N=C(/c1ccccc1)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C25H25NO4/c1-2-17-29-26-24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)30-23(25(27)28)18-19-9-5-3-6-10-19/h3-16,23H,2,17-18H2,1H3,(H,27,28)/b26-24+	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	1.00E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50062511 (CHEMBL3397563) Show SMILES CCCO\N=C(\c1ccccc1)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C25H25NO4/c1-2-17-29-26-24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)30-23(25(27)28)18-19-9-5-3-6-10-19/h3-16,23H,2,17-18H2,1H3,(H,27,28)/b26-24-	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	680	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...				Eur J Med Chem 90: 583-94 (2015) Article DOI: 10.1016/j.ejmech.2014.11.044 BindingDB Entry DOI: 10.7270/Q2377BD4
					More data for this Ligand-Target Pair

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