Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50045221   

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))	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	3.98E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24560 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050894 (CHEMBL3318036) Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H15ClN4O2S/c19-15-10-16(23-18(22-15)26-11-17(24)25)21-14-8-6-13(7-9-14)20-12-4-2-1-3-5-12/h1-10,20H,11H2,(H,24,25)(H,21,22,23)	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+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050895 (CHEMBL3318037) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C22H23ClN4O2S/c1-2-3-9-18(21(28)29)30-22-26-19(23)14-20(27-22)25-17-12-10-16(11-13-17)24-15-7-5-4-6-8-15/h4-8,10-14,18,24H,2-3,9H2,1H3,(H,28,29)(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050896 (CHEMBL3318038) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C24H27ClN4O2S/c1-2-3-4-8-11-20(23(30)31)32-24-28-21(25)16-22(29-24)27-19-14-12-18(13-15-19)26-17-9-6-5-7-10-17/h5-7,9-10,12-16,20,26H,2-4,8,11H2,1H3,(H,30,31)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050897 (CHEMBL3318039) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)C(=O)c2ccc(N)cc2)n1)C(O)=O Show InChI InChI=1S/C25H27ClN4O3S/c1-2-3-4-5-6-20(24(32)33)34-25-29-21(26)15-22(30-25)28-19-13-9-17(10-14-19)23(31)16-7-11-18(27)12-8-16/h7-15,20H,2-6,27H2,1H3,(H,32,33)(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050898 (CHEMBL3318040) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C24H26ClN3O3S/c1-2-3-4-8-11-20(23(29)30)32-24-27-21(25)16-22(28-24)26-17-12-14-19(15-13-17)31-18-9-6-5-7-10-18/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050899 (CHEMBL3318041) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)17-23(29-25)27-20-14-12-19(13-15-20)16-18-9-6-5-7-10-18/h5-7,9-10,12-15,17,21H,2-4,8,11,16H2,1H3,(H,30,31)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	5.37E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50273681 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)	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	3.00E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24560 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50050894 (CHEMBL3318036) Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H15ClN4O2S/c19-15-10-16(23-18(22-15)26-11-17(24)25)21-14-8-6-13(7-9-14)20-12-4-2-1-3-5-12/h1-10,20H,11H2,(H,24,25)(H,21,22,23)	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	1.24E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50050895 (CHEMBL3318037) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C22H23ClN4O2S/c1-2-3-9-18(21(28)29)30-22-26-19(23)14-20(27-22)25-17-12-10-16(11-13-17)24-15-7-5-4-6-8-15/h4-8,10-14,18,24H,2-3,9H2,1H3,(H,28,29)(H,25,26,27)	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	1.06E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50050896 (CHEMBL3318038) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C24H27ClN4O2S/c1-2-3-4-8-11-20(23(30)31)32-24-28-21(25)16-22(29-24)27-19-14-12-18(13-15-19)26-17-9-6-5-7-10-17/h5-7,9-10,12-16,20,26H,2-4,8,11H2,1H3,(H,30,31)(H,27,28,29)	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	690	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50050897 (CHEMBL3318039) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)C(=O)c2ccc(N)cc2)n1)C(O)=O Show InChI InChI=1S/C25H27ClN4O3S/c1-2-3-4-5-6-20(24(32)33)34-25-29-21(26)15-22(30-25)28-19-13-9-17(10-14-19)23(31)16-7-11-18(27)12-8-16/h7-15,20H,2-6,27H2,1H3,(H,32,33)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50050898 (CHEMBL3318040) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C24H26ClN3O3S/c1-2-3-4-8-11-20(23(29)30)32-24-27-21(25)16-22(28-24)26-17-12-14-19(15-13-17)31-18-9-6-5-7-10-18/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)	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	2.36E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50050899 (CHEMBL3318041) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)17-23(29-25)27-20-14-12-19(13-15-20)16-18-9-6-5-7-10-18/h5-7,9-10,12-15,17,21H,2-4,8,11,16H2,1H3,(H,30,31)(H,27,28,29)	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	490	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050896 (CHEMBL3318038) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C24H27ClN4O2S/c1-2-3-4-8-11-20(23(30)31)32-24-28-21(25)16-22(29-24)27-19-14-12-18(13-15-19)26-17-9-6-5-7-10-17/h5-7,9-10,12-16,20,26H,2-4,8,11H2,1H3,(H,30,31)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050897 (CHEMBL3318039) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)C(=O)c2ccc(N)cc2)n1)C(O)=O Show InChI InChI=1S/C25H27ClN4O3S/c1-2-3-4-5-6-20(24(32)33)34-25-29-21(26)15-22(30-25)28-19-13-9-17(10-14-19)23(31)16-7-11-18(27)12-8-16/h7-15,20H,2-6,27H2,1H3,(H,32,33)(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050898 (CHEMBL3318040) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C24H26ClN3O3S/c1-2-3-4-8-11-20(23(29)30)32-24-27-21(25)16-22(28-24)26-17-12-14-19(15-13-17)31-18-9-6-5-7-10-18/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)	PDB UniProtKB/SwissProt 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
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50050899 (CHEMBL3318041) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)C(O)=O Show InChI InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)17-23(29-25)27-20-14-12-19(13-15-20)16-18-9-6-5-7-10-18/h5-7,9-10,12-15,17,21H,2-4,8,11,16H2,1H3,(H,30,31)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50273681 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)	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
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
					More data for this Ligand-Target Pair