Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'guerrini' and Initial = 'u'   

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	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	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))	BDBM50401010 (CHEMBL2206304) Show SMILES CCCCCCCN(CCc1ccc(OCC([O-])=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C24H30N2O4/c1-2-3-4-5-8-16-26(24-25-21-9-6-7-10-22(21)30-24)17-15-19-11-13-20(14-12-19)29-18-23(27)28/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,27,28)/p-1	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	800	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401011 (CHEMBL2206303) Show SMILES CCCCCCCN(CCc1ccc(O[C@@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/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	2.30E+3	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401012 (CHEMBL2206302) Show SMILES CCCCCCCN(CCc1ccc(O[C@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/m1/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	150	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401013 (CHEMBL477312) Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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	n/a	n/a	n/a	n/a	590	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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 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	1.60E+3	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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 alpha (Homo sapiens (Human))	BDBM50401009 (CHEMBL2206305) Show SMILES CCCCCCCN(CCc1ccc(O[C@H](Cc2ccccc2)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H36N2O4/c1-2-3-4-5-11-21-33(31-32-27-14-9-10-15-28(27)37-31)22-20-24-16-18-26(19-17-24)36-29(30(34)35)23-25-12-7-6-8-13-25/h6-10,12-19,29H,2-5,11,20-23H2,1H3,(H,34,35)/p-1/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401010 (CHEMBL2206304) Show SMILES CCCCCCCN(CCc1ccc(OCC([O-])=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C24H30N2O4/c1-2-3-4-5-8-16-26(24-25-21-9-6-7-10-22(21)30-24)17-15-19-11-13-20(14-12-19)29-18-23(27)28/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	122	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401011 (CHEMBL2206303) Show SMILES CCCCCCCN(CCc1ccc(O[C@@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/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	620	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401012 (CHEMBL2206302) Show SMILES CCCCCCCN(CCc1ccc(O[C@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401013 (CHEMBL477312) Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor alpha (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor alpha (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
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	120	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry				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))	BDBM50401010 (CHEMBL2206304) Show SMILES CCCCCCCN(CCc1ccc(OCC([O-])=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C24H30N2O4/c1-2-3-4-5-8-16-26(24-25-21-9-6-7-10-22(21)30-24)17-15-19-11-13-20(14-12-19)29-18-23(27)28/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,27,28)/p-1	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	7.70E+3	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry				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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401011 (CHEMBL2206303) Show SMILES CCCCCCCN(CCc1ccc(O[C@@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/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	3.30E+3	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry				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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401012 (CHEMBL2206302) Show SMILES CCCCCCCN(CCc1ccc(O[C@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/m1/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	1.50E+3	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry				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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401013 (CHEMBL477312) Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry				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	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry				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	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry				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 delta (Homo sapiens (Human))	BDBM50085041 (2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...) Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivatio...				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 delta (Homo sapiens (Human))	BDBM50401010 (CHEMBL2206304) Show SMILES CCCCCCCN(CCc1ccc(OCC([O-])=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C24H30N2O4/c1-2-3-4-5-8-16-26(24-25-21-9-6-7-10-22(21)30-24)17-15-19-11-13-20(14-12-19)29-18-23(27)28/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50401011 (CHEMBL2206303) Show SMILES CCCCCCCN(CCc1ccc(O[C@@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/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	850	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50401012 (CHEMBL2206302) Show SMILES CCCCCCCN(CCc1ccc(O[C@H](C)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401009 (CHEMBL2206305) Show SMILES CCCCCCCN(CCc1ccc(O[C@H](Cc2ccccc2)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H36N2O4/c1-2-3-4-5-11-21-33(31-32-27-14-9-10-15-28(27)37-31)22-20-24-16-18-26(19-17-24)36-29(30(34)35)23-25-12-7-6-8-13-25/h6-10,12-19,29H,2-5,11,20-23H2,1H3,(H,34,35)/p-1/t29-/m1/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	2.70E+3	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50401013 (CHEMBL477312) Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivatio...				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
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	20	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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))	BDBM50401008 (CHEMBL2206306) Show SMILES CCCCCCCN(CCc1ccc(O[C@@H](Cc2ccccc2)C([O-])=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H36N2O4/c1-2-3-4-5-11-21-33(31-32-27-14-9-10-15-28(27)37-31)22-20-24-16-18-26(19-17-24)36-29(30(34)35)23-25-12-7-6-8-13-25/h6-10,12-19,29H,2-5,11,20-23H2,1H3,(H,34,35)/p-1/t29-/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	1.70E+3	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...				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