Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50026634   

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 alpha (Homo sapiens (Human))	BDBM50261701 (2-Methyl-c-5-[4-(5-methyl-2-phenyloxazol-4-ylmetho...) Show SMILES Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |r,wU:13.13,16.21,wD:16.17,(-1.08,-34.97,;-2.35,-34.1,;-3.8,-34.62,;-4.75,-33.41,;-3.88,-32.13,;-2.4,-32.56,;-1.05,-31.82,;.27,-32.62,;1.62,-31.89,;2.93,-32.69,;4.28,-31.96,;4.32,-30.42,;5.67,-29.68,;6.99,-30.48,;8.33,-29.73,;9.65,-30.54,;9.61,-32.08,;11.08,-31.68,;8.25,-32.81,;6.94,-32.01,;10.05,-33.56,;11.54,-33.91,;8.99,-34.67,;3,-29.61,;1.65,-30.35,;-6.29,-33.46,;-7.09,-32.14,;-8.63,-32.19,;-9.36,-33.55,;-8.54,-34.86,;-7,-34.81,)| Show InChI InChI=1S/C24H25NO6/c1-16-21(25-22(31-16)19-6-4-3-5-7-19)15-28-20-10-8-17(9-11-20)12-18-13-29-24(2,23(26)27)30-14-18/h3-11,18H,12-15H2,1-2H3,(H,26,27)/t18-,24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.09	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50261701 (2-Methyl-c-5-[4-(5-methyl-2-phenyloxazol-4-ylmetho...) Show SMILES Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |r,wU:13.13,16.21,wD:16.17,(-1.08,-34.97,;-2.35,-34.1,;-3.8,-34.62,;-4.75,-33.41,;-3.88,-32.13,;-2.4,-32.56,;-1.05,-31.82,;.27,-32.62,;1.62,-31.89,;2.93,-32.69,;4.28,-31.96,;4.32,-30.42,;5.67,-29.68,;6.99,-30.48,;8.33,-29.73,;9.65,-30.54,;9.61,-32.08,;11.08,-31.68,;8.25,-32.81,;6.94,-32.01,;10.05,-33.56,;11.54,-33.91,;8.99,-34.67,;3,-29.61,;1.65,-30.35,;-6.29,-33.46,;-7.09,-32.14,;-8.63,-32.19,;-9.36,-33.55,;-8.54,-34.86,;-7,-34.81,)| Show InChI InChI=1S/C24H25NO6/c1-16-21(25-22(31-16)19-6-4-3-5-7-19)15-28-20-10-8-17(9-11-20)12-18-13-29-24(2,23(26)27)30-14-18/h3-11,18H,12-15H2,1-2H3,(H,26,27)/t18-,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	96	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50261879 (2-Methyl-c-5-{4-[2-(5-methyl-2-(5-methylthiophen-2...) Show SMILES Cc1ccc(s1)-c1nc(CCOc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1 |r,wU:20.25,17.17,wD:20.21,(-9.95,-10.46,;-8.61,-11.22,;-7.21,-10.58,;-6.17,-11.72,;-6.93,-13.06,;-8.44,-12.75,;-6.29,-14.46,;-4.79,-14.77,;-4.61,-16.3,;-3.27,-17.06,;-1.94,-16.28,;-.6,-17.04,;.73,-16.26,;2.07,-17.02,;3.39,-16.24,;3.38,-14.7,;4.71,-13.92,;6.05,-14.68,;7.37,-13.89,;8.71,-14.65,;8.72,-16.19,;10.18,-15.74,;7.39,-16.97,;6.05,-16.21,;9.2,-17.65,;10.71,-17.96,;8.18,-18.8,;2.03,-13.94,;.71,-14.73,;-6.01,-16.93,;-6.32,-18.44,;-7.05,-15.8,)| Show InChI InChI=1S/C24H27NO6S/c1-15-4-9-21(32-15)22-25-20(16(2)31-22)10-11-28-19-7-5-17(6-8-19)12-18-13-29-24(3,23(26)27)30-14-18/h4-9,18H,10-14H2,1-3H3,(H,26,27)/t18-,24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50261878 (2-Methyl-c-5-{4-[5-methyl-2-(5-methylthiophen-2-yl...) Show SMILES Cc1ccc(s1)-c1nc(COc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1 |r,wU:16.16,19.24,wD:19.20,(16.23,-2.7,;17.45,-1.75,;17.4,-.22,;18.85,.31,;19.79,-.9,;18.92,-2.18,;21.33,-.86,;22.2,.42,;23.68,-.01,;25.03,.73,;26.34,-.07,;27.7,.67,;29.01,-.14,;30.36,.59,;30.4,2.13,;31.75,2.87,;33.06,2.07,;34.41,2.82,;35.72,2.01,;35.68,.47,;37.16,.87,;34.33,-.26,;33.02,.54,;36.12,-1,;37.62,-1.36,;35.06,-2.12,;29.07,2.94,;27.73,2.2,;23.72,-1.55,;25,-2.42,;22.28,-2.07,)| Show InChI InChI=1S/C23H25NO6S/c1-14-4-9-20(31-14)21-24-19(15(2)30-21)13-27-18-7-5-16(6-8-18)10-17-11-28-23(3,22(25)26)29-12-17/h4-9,17H,10-13H2,1-3H3,(H,25,26)/t17-,23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50261703 (2-Methyl-c-5-{4-[2-(5-methyl-2-(4-methylphenyl)oxa...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:17.22,14.14,wD:17.18,(19.1,-51.29,;19.48,-49.8,;18.49,-48.61,;19.32,-47.31,;20.81,-47.69,;20.92,-49.23,;22.22,-50.05,;23.58,-49.34,;24.88,-50.16,;26.25,-49.45,;27.54,-50.28,;28.91,-49.56,;28.97,-48.02,;30.33,-47.3,;31.64,-48.13,;32.99,-47.4,;34.29,-48.23,;34.23,-49.77,;35.71,-49.39,;32.86,-50.48,;31.57,-49.66,;34.64,-51.25,;36.14,-51.63,;33.57,-52.35,;27.66,-47.2,;26.3,-47.92,;18.75,-45.88,;19.71,-44.68,;19.14,-43.25,;17.62,-43.02,;17.05,-41.59,;16.66,-44.24,;17.23,-45.67,)| Show InChI InChI=1S/C26H29NO6/c1-17-4-8-21(9-5-17)24-27-23(18(2)33-24)12-13-30-22-10-6-19(7-11-22)14-20-15-31-26(3,25(28)29)32-16-20/h4-11,20H,12-16H2,1-3H3,(H,28,29)/t20-,26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0890	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50261702 (2-Methyl-c-5-[4-{2-(5-methyl-2-phenyloxazol-4-yl)e...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |r,wU:17.22,14.14,wD:17.18,(-6.59,-51.43,;-6.28,-49.93,;-7.32,-48.79,;-6.56,-47.45,;-5.05,-47.76,;-4.87,-49.29,;-3.53,-50.05,;-2.2,-49.27,;-.86,-50.03,;.46,-49.25,;1.8,-50.01,;3.13,-49.24,;3.12,-47.69,;4.44,-46.91,;5.78,-47.67,;7.1,-46.88,;8.44,-47.65,;8.45,-49.19,;9.91,-48.74,;7.12,-49.96,;5.79,-49.2,;8.94,-50.65,;10.45,-50.96,;7.92,-51.8,;1.77,-46.93,;.45,-47.72,;-7.2,-46.05,;-6.29,-44.8,;-6.93,-43.4,;-8.47,-43.25,;-9.36,-44.51,;-8.72,-45.91,)| Show InChI InChI=1S/C25H27NO6/c1-17-22(26-23(32-17)20-6-4-3-5-7-20)12-13-29-21-10-8-18(9-11-21)14-19-15-30-25(2,24(27)28)31-16-19/h3-11,19H,12-16H2,1-2H3,(H,27,28)/t19-,25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.272	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50256109 ((2s,5s)-2-methyl-5-(4-((5-methyl-2-p-tolyloxazol-4...) Show SMILES Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:13.13,16.21,wD:16.17,(24.31,-36.45,;23.08,-35.51,;21.61,-35.96,;20.73,-34.69,;21.66,-33.46,;23.12,-33.97,;24.38,-33.1,;25.68,-33.93,;27.05,-33.22,;28.34,-34.06,;29.7,-33.35,;29.78,-31.81,;31.15,-31.11,;32.44,-31.94,;33.81,-31.22,;35.1,-32.06,;35.03,-33.6,;36.49,-34.04,;33.66,-34.3,;32.37,-33.47,;35.37,-35.09,;36.84,-35.55,;34.24,-36.14,;28.47,-30.98,;27.11,-31.69,;19.19,-34.65,;18.46,-33.3,;16.92,-33.27,;16.11,-34.58,;14.57,-34.55,;16.86,-35.94,;18.4,-35.97,)| Show InChI InChI=1S/C25H27NO6/c1-16-4-8-20(9-5-16)23-26-22(17(2)32-23)15-29-21-10-6-18(7-11-21)12-19-13-30-25(3,24(27)28)31-14-19/h4-11,19H,12-15H2,1-3H3,(H,27,28)/t19-,25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0720	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50261880 (CHEMBL512789 | c-5-[4-{2-(2-tert-Butyl-5-methyloxa...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)C(C)(C)C |r,wU:17.22,14.14,wD:17.18,(-8.25,-31.91,;-7.94,-30.4,;-8.98,-29.26,;-8.22,-27.92,;-6.71,-28.23,;-6.53,-29.76,;-5.19,-30.52,;-3.86,-29.74,;-2.52,-30.5,;-1.2,-29.72,;.14,-30.49,;1.47,-29.71,;1.46,-28.17,;2.78,-27.39,;4.12,-28.14,;5.44,-27.35,;6.78,-28.12,;6.79,-29.66,;8.25,-29.21,;5.46,-30.44,;4.13,-29.68,;7.28,-31.12,;8.79,-31.43,;6.26,-32.27,;.11,-27.41,;-1.21,-28.19,;-8.86,-26.52,;-9.64,-25.19,;-7.49,-25.81,;-10.22,-27.24,)| Show InChI InChI=1S/C23H31NO6/c1-15-19(24-20(30-15)22(2,3)4)10-11-27-18-8-6-16(7-9-18)12-17-13-28-23(5,21(25)26)29-14-17/h6-9,17H,10-14H2,1-5H3,(H,25,26)/t17-,23+	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	5.01E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50261879 (2-Methyl-c-5-{4-[2-(5-methyl-2-(5-methylthiophen-2...) Show SMILES Cc1ccc(s1)-c1nc(CCOc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1 |r,wU:20.25,17.17,wD:20.21,(-9.95,-10.46,;-8.61,-11.22,;-7.21,-10.58,;-6.17,-11.72,;-6.93,-13.06,;-8.44,-12.75,;-6.29,-14.46,;-4.79,-14.77,;-4.61,-16.3,;-3.27,-17.06,;-1.94,-16.28,;-.6,-17.04,;.73,-16.26,;2.07,-17.02,;3.39,-16.24,;3.38,-14.7,;4.71,-13.92,;6.05,-14.68,;7.37,-13.89,;8.71,-14.65,;8.72,-16.19,;10.18,-15.74,;7.39,-16.97,;6.05,-16.21,;9.2,-17.65,;10.71,-17.96,;8.18,-18.8,;2.03,-13.94,;.71,-14.73,;-6.01,-16.93,;-6.32,-18.44,;-7.05,-15.8,)| Show InChI InChI=1S/C24H27NO6S/c1-15-4-9-21(32-15)22-25-20(16(2)31-22)10-11-28-19-7-5-17(6-8-19)12-18-13-29-24(3,23(26)27)30-14-18/h4-9,18H,10-14H2,1-3H3,(H,26,27)/t18-,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	239	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50261878 (2-Methyl-c-5-{4-[5-methyl-2-(5-methylthiophen-2-yl...) Show SMILES Cc1ccc(s1)-c1nc(COc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1 |r,wU:16.16,19.24,wD:19.20,(16.23,-2.7,;17.45,-1.75,;17.4,-.22,;18.85,.31,;19.79,-.9,;18.92,-2.18,;21.33,-.86,;22.2,.42,;23.68,-.01,;25.03,.73,;26.34,-.07,;27.7,.67,;29.01,-.14,;30.36,.59,;30.4,2.13,;31.75,2.87,;33.06,2.07,;34.41,2.82,;35.72,2.01,;35.68,.47,;37.16,.87,;34.33,-.26,;33.02,.54,;36.12,-1,;37.62,-1.36,;35.06,-2.12,;29.07,2.94,;27.73,2.2,;23.72,-1.55,;25,-2.42,;22.28,-2.07,)| Show InChI InChI=1S/C23H25NO6S/c1-14-4-9-20(31-14)21-24-19(15(2)30-21)13-27-18-7-5-16(6-8-18)10-17-11-28-23(3,22(25)26)29-12-17/h4-9,17H,10-13H2,1-3H3,(H,25,26)/t17-,23+	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	19.8	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50261703 (2-Methyl-c-5-{4-[2-(5-methyl-2-(4-methylphenyl)oxa...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:17.22,14.14,wD:17.18,(19.1,-51.29,;19.48,-49.8,;18.49,-48.61,;19.32,-47.31,;20.81,-47.69,;20.92,-49.23,;22.22,-50.05,;23.58,-49.34,;24.88,-50.16,;26.25,-49.45,;27.54,-50.28,;28.91,-49.56,;28.97,-48.02,;30.33,-47.3,;31.64,-48.13,;32.99,-47.4,;34.29,-48.23,;34.23,-49.77,;35.71,-49.39,;32.86,-50.48,;31.57,-49.66,;34.64,-51.25,;36.14,-51.63,;33.57,-52.35,;27.66,-47.2,;26.3,-47.92,;18.75,-45.88,;19.71,-44.68,;19.14,-43.25,;17.62,-43.02,;17.05,-41.59,;16.66,-44.24,;17.23,-45.67,)| Show InChI InChI=1S/C26H29NO6/c1-17-4-8-21(9-5-17)24-27-23(18(2)33-24)12-13-30-22-10-6-19(7-11-22)14-20-15-31-26(3,25(28)29)32-16-20/h4-11,20H,12-16H2,1-3H3,(H,28,29)/t20-,26+	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	1.39E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50261702 (2-Methyl-c-5-[4-{2-(5-methyl-2-phenyloxazol-4-yl)e...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |r,wU:17.22,14.14,wD:17.18,(-6.59,-51.43,;-6.28,-49.93,;-7.32,-48.79,;-6.56,-47.45,;-5.05,-47.76,;-4.87,-49.29,;-3.53,-50.05,;-2.2,-49.27,;-.86,-50.03,;.46,-49.25,;1.8,-50.01,;3.13,-49.24,;3.12,-47.69,;4.44,-46.91,;5.78,-47.67,;7.1,-46.88,;8.44,-47.65,;8.45,-49.19,;9.91,-48.74,;7.12,-49.96,;5.79,-49.2,;8.94,-50.65,;10.45,-50.96,;7.92,-51.8,;1.77,-46.93,;.45,-47.72,;-7.2,-46.05,;-6.29,-44.8,;-6.93,-43.4,;-8.47,-43.25,;-9.36,-44.51,;-8.72,-45.91,)| Show InChI InChI=1S/C25H27NO6/c1-17-22(26-23(32-17)20-6-4-3-5-7-20)12-13-29-21-10-8-18(9-11-21)14-19-15-30-25(2,24(27)28)31-16-19/h3-11,19H,12-16H2,1-2H3,(H,27,28)/t19-,25+	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	4.10E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50256109 ((2s,5s)-2-methyl-5-(4-((5-methyl-2-p-tolyloxazol-4...) Show SMILES Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:13.13,16.21,wD:16.17,(24.31,-36.45,;23.08,-35.51,;21.61,-35.96,;20.73,-34.69,;21.66,-33.46,;23.12,-33.97,;24.38,-33.1,;25.68,-33.93,;27.05,-33.22,;28.34,-34.06,;29.7,-33.35,;29.78,-31.81,;31.15,-31.11,;32.44,-31.94,;33.81,-31.22,;35.1,-32.06,;35.03,-33.6,;36.49,-34.04,;33.66,-34.3,;32.37,-33.47,;35.37,-35.09,;36.84,-35.55,;34.24,-36.14,;28.47,-30.98,;27.11,-31.69,;19.19,-34.65,;18.46,-33.3,;16.92,-33.27,;16.11,-34.58,;14.57,-34.55,;16.86,-35.94,;18.4,-35.97,)| Show InChI InChI=1S/C25H27NO6/c1-16-4-8-20(9-5-16)23-26-22(17(2)32-23)15-29-21-10-6-18(7-11-21)12-19-13-30-25(3,24(27)28)31-14-19/h4-11,19H,12-15H2,1-3H3,(H,27,28)/t19-,25+	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	15	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					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	50	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					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	4.80E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50261880 (CHEMBL512789 | c-5-[4-{2-(2-tert-Butyl-5-methyloxa...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)C(C)(C)C |r,wU:17.22,14.14,wD:17.18,(-8.25,-31.91,;-7.94,-30.4,;-8.98,-29.26,;-8.22,-27.92,;-6.71,-28.23,;-6.53,-29.76,;-5.19,-30.52,;-3.86,-29.74,;-2.52,-30.5,;-1.2,-29.72,;.14,-30.49,;1.47,-29.71,;1.46,-28.17,;2.78,-27.39,;4.12,-28.14,;5.44,-27.35,;6.78,-28.12,;6.79,-29.66,;8.25,-29.21,;5.46,-30.44,;4.13,-29.68,;7.28,-31.12,;8.79,-31.43,;6.26,-32.27,;.11,-27.41,;-1.21,-28.19,;-8.86,-26.52,;-9.64,-25.19,;-7.49,-25.81,;-10.22,-27.24,)| Show InChI InChI=1S/C23H31NO6/c1-15-19(24-20(30-15)22(2,3)4)10-11-27-18-8-6-16(7-9-18)12-17-13-28-23(5,21(25)26)29-14-17/h6-9,17H,10-14H2,1-5H3,(H,25,26)/t17-,23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...				Bioorg Med Chem 16: 7117-27 (2008) Article DOI: 10.1016/j.bmc.2008.06.050 BindingDB Entry DOI: 10.7270/Q2K93792
					More data for this Ligand-Target Pair