Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'wanior' 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
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198438 (CHEMBL3904183) Show SMILES CCCc1[nH]nc2oc(=O)c3ccccc3c12 Show InChI InChI=1S/C13H12N2O2/c1-2-5-10-11-8-6-3-4-7-9(8)13(16)17-12(11)15-14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt 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
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198451 (CHEMBL1491707) Show SMILES Cc1nnc2ccc3ccccc3n12 Show InChI InChI=1S/C11H9N3/c1-8-12-13-11-7-6-9-4-2-3-5-10(9)14(8)11/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198448 (CHEMBL3966713) Show SMILES CCc1[nH]nc2oc(=O)c3ccccc3c12 Show InChI InChI=1S/C12H10N2O2/c1-2-9-10-7-5-3-4-6-8(7)12(15)16-11(10)14-13-9/h3-6H,2H2,1H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198440 (CHEMBL3945847) Show SMILES COc1ccc(cc1)C(C(CC#N)CC#N)c1ccccc1 Show InChI InChI=1S/C19H18N2O/c1-22-18-9-7-16(8-10-18)19(15-5-3-2-4-6-15)17(11-13-20)12-14-21/h2-10,17,19H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198447 (CHEMBL3899245) Show SMILES Oc1ccccc1C(=O)\C=C\N1CC2CC1CN2c1ccccn1 |TLB:18:17:14:11.12,10:11:17.16:14| Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198450 (CHEMBL3927964) Show SMILES CCCCc1[nH]nc2oc(=O)c3ccccc3c12 Show InChI InChI=1S/C14H14N2O2/c1-2-3-8-11-12-9-6-4-5-7-10(9)14(17)18-13(12)16-15-11/h4-7H,2-3,8H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198449 (CHEMBL3936967) Show SMILES Cc1[nH]nc2oc(=O)c3ccccc3c12 Show InChI InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13)	PDB KEGG UniProtKB/SwissProt 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
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514824 (CHEMBL4560767) Show SMILES CCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C24H28N2O3S2/c1-5-6-7-19(22(28)29)30-23-26-18-13-12-17(14-20(18)31-23)25-21(27)15-8-10-16(11-9-15)24(2,3)4/h8-14,19H,5-7H2,1-4H3,(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514825 (CHEMBL4445012) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C27H28N2O4S3/c1-2-3-4-8-11-24(26(30)31)34-27-28-23-17-14-21(18-25(23)35-27)29-36(32,33)22-15-12-20(13-16-22)19-9-6-5-7-10-19/h5-7,9-10,12-18,24,29H,2-4,8,11H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514826 (CHEMBL4586557) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H26N2O2S2/c1-2-3-4-8-11-19(21(25)26)27-22-24-18-13-12-17(14-20(18)28-22)23-15-16-9-6-5-7-10-16/h5-7,9-10,12-14,19,23H,2-4,8,11,15H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514827 (CHEMBL4445084) Show SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O |r| Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514828 (CHEMBL4571498) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C25H32N2O4S3/c1-5-6-7-8-9-21(23(28)29)32-24-26-20-15-12-18(16-22(20)33-24)27-34(30,31)19-13-10-17(11-14-19)25(2,3)4/h10-16,21,27H,5-9H2,1-4H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514829 (CHEMBL4443192) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(F)(F)F)cc2s1)C(O)=O Show InChI InChI=1S/C23H25F3N2O2S2/c1-2-3-4-5-6-19(21(29)30)31-22-28-18-12-11-17(13-20(18)32-22)27-14-15-7-9-16(10-8-15)23(24,25)26/h7-13,19,27H,2-6,14H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514830 (CHEMBL4519376) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24N2O3S2/c1-2-3-4-8-11-18(21(26)27)28-22-24-17-13-12-16(14-19(17)29-22)23-20(25)15-9-6-5-7-10-15/h5-7,9-10,12-14,18H,2-4,8,11H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	770	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514831 (CHEMBL4548480) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)cc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H25ClN2O2S2/c1-2-3-4-5-6-19(21(26)27)28-22-25-18-12-11-17(13-20(18)29-22)24-14-15-7-9-16(23)10-8-15/h7-13,19,24H,2-6,14H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514829 (CHEMBL4443192) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(F)(F)F)cc2s1)C(O)=O Show InChI InChI=1S/C23H25F3N2O2S2/c1-2-3-4-5-6-19(21(29)30)31-22-28-18-12-11-17(13-20(18)32-22)27-14-15-7-9-16(10-8-15)23(24,25)26/h7-13,19,27H,2-6,14H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514832 (CHEMBL4483378) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3cccc(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H25ClN2O2S2/c1-2-3-4-5-9-19(21(26)27)28-22-25-18-11-10-17(13-20(18)29-22)24-14-15-7-6-8-16(23)12-15/h6-8,10-13,19,24H,2-5,9,14H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514833 (CHEMBL4446031) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24Cl2N2O2S2/c1-2-3-4-5-6-19(21(27)28)29-22-26-18-10-8-15(12-20(18)30-22)25-13-14-7-9-16(23)17(24)11-14/h7-12,19,25H,2-6,13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514834 (CHEMBL4541281) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc4ccccc4c3)cc2s1)C(O)=O Show InChI InChI=1S/C26H28N2O2S2/c1-2-3-4-5-10-23(25(29)30)31-26-28-22-14-13-21(16-24(22)32-26)27-17-18-11-12-19-8-6-7-9-20(19)15-18/h6-9,11-16,23,27H,2-5,10,17H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514835 (CHEMBL4474407) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1)C(O)=O Show InChI InChI=1S/C21H23ClN2O4S3/c1-2-3-4-5-6-18(20(25)26)29-21-23-17-12-9-15(13-19(17)30-21)24-31(27,28)16-10-7-14(22)8-11-16/h7-13,18,24H,2-6H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514836 (CHEMBL4466709) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514830 (CHEMBL4519376) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24N2O3S2/c1-2-3-4-8-11-18(21(26)27)28-22-24-17-13-12-16(14-19(17)29-22)23-20(25)15-9-6-5-7-10-15/h5-7,9-10,12-14,18H,2-4,8,11H2,1H3,(H,23,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514824 (CHEMBL4560767) Show SMILES CCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C24H28N2O3S2/c1-5-6-7-19(22(28)29)30-23-26-18-13-12-17(14-20(18)31-23)25-21(27)15-8-10-16(11-9-15)24(2,3)4/h8-14,19H,5-7H2,1-4H3,(H,25,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514837 (CHEMBL4460166) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C26H34N2O2S2/c1-5-6-7-8-9-22(24(29)30)31-25-28-21-15-14-20(16-23(21)32-25)27-17-18-10-12-19(13-11-18)26(2,3)4/h10-16,22,27H,5-9,17H2,1-4H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514829 (CHEMBL4443192) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(F)(F)F)cc2s1)C(O)=O Show InChI InChI=1S/C23H25F3N2O2S2/c1-2-3-4-5-6-19(21(29)30)31-22-28-18-12-11-17(13-20(18)32-22)27-14-15-7-9-16(10-8-15)23(24,25)26/h7-13,19,27H,2-6,14H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514838 (CHEMBL4464538) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)-c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C28H30N2O2S2/c1-2-3-4-8-11-25(27(31)32)33-28-30-24-17-16-23(18-26(24)34-28)29-19-20-12-14-22(15-13-20)21-9-6-5-7-10-21/h5-7,9-10,12-18,25,29H,2-4,8,11,19H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	770	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514839 (CHEMBL4546798) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3cc(Cl)cc(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24Cl2N2O2S2/c1-2-3-4-5-6-19(21(27)28)29-22-26-18-8-7-17(12-20(18)30-22)25-13-14-9-15(23)11-16(24)10-14/h7-12,19,25H,2-6,13H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514834 (CHEMBL4541281) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc4ccccc4c3)cc2s1)C(O)=O Show InChI InChI=1S/C26H28N2O2S2/c1-2-3-4-5-10-23(25(29)30)31-26-28-22-14-13-21(16-24(22)32-26)27-17-18-11-12-19-8-6-7-9-20(19)15-18/h6-9,11-16,23,27H,2-5,10,17H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514825 (CHEMBL4445012) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C27H28N2O4S3/c1-2-3-4-8-11-24(26(30)31)34-27-28-23-17-14-21(18-25(23)35-27)29-36(32,33)22-15-12-20(13-16-22)19-9-6-5-7-10-19/h5-7,9-10,12-18,24,29H,2-4,8,11H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514836 (CHEMBL4466709) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514840 (CHEMBL4471421) Show SMILES CCCCCC[C@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O |r| Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514841 (CHEMBL4446679) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C26H32N2O3S2/c1-5-6-7-8-9-21(24(30)31)32-25-28-20-15-14-19(16-22(20)33-25)27-23(29)17-10-12-18(13-11-17)26(2,3)4/h10-16,21H,5-9H2,1-4H3,(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514830 (CHEMBL4519376) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24N2O3S2/c1-2-3-4-8-11-18(21(26)27)28-22-24-17-13-12-16(14-19(17)29-22)23-20(25)15-9-6-5-7-10-15/h5-7,9-10,12-14,18H,2-4,8,11H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514838 (CHEMBL4464538) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)-c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C28H30N2O2S2/c1-2-3-4-8-11-25(27(31)32)33-28-30-24-17-16-23(18-26(24)34-28)29-19-20-12-14-22(15-13-20)21-9-6-5-7-10-21/h5-7,9-10,12-18,25,29H,2-4,8,11,19H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514833 (CHEMBL4446031) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24Cl2N2O2S2/c1-2-3-4-5-6-19(21(27)28)29-22-26-18-10-8-15(12-20(18)30-22)25-13-14-7-9-16(23)17(24)11-14/h7-12,19,25H,2-6,13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514834 (CHEMBL4541281) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc4ccccc4c3)cc2s1)C(O)=O Show InChI InChI=1S/C26H28N2O2S2/c1-2-3-4-5-10-23(25(29)30)31-26-28-22-14-13-21(16-24(22)32-26)27-17-18-11-12-19-8-6-7-9-20(19)15-18/h6-9,11-16,23,27H,2-5,10,17H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514835 (CHEMBL4474407) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1)C(O)=O Show InChI InChI=1S/C21H23ClN2O4S3/c1-2-3-4-5-6-18(20(25)26)29-21-23-17-12-9-15(13-19(17)30-21)24-31(27,28)16-10-7-14(22)8-11-16/h7-13,18,24H,2-6H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514836 (CHEMBL4466709) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514836 (CHEMBL4466709) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	197	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at recombinant N-terminal GFP-fused PPARgamma LBD (unknown origin) assessed as increase in biotinylated-CBP peptide recruitm...				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	210	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at recombinant N-terminal GFP-fused PPARgamma LBD (unknown origin) assessed as increase in biotinylated-CBP peptide recruitm...				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	115	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at recombinant N-terminal GFP-fused PPARgamma LBD (unknown origin) assessed as increase in biotinylated-SRC1 peptide recruit...				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514841 (CHEMBL4446679) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C26H32N2O3S2/c1-5-6-7-8-9-21(24(30)31)32-25-28-20-15-14-19(16-22(20)33-25)27-23(29)17-10-12-18(13-11-17)26(2,3)4/h10-16,21H,5-9H2,1-4H3,(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514838 (CHEMBL4464538) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)-c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C28H30N2O2S2/c1-2-3-4-8-11-25(27(31)32)33-28-30-24-17-16-23(18-26(24)34-28)29-19-20-12-14-22(15-13-20)21-9-6-5-7-10-21/h5-7,9-10,12-18,25,29H,2-4,8,11,19H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514839 (CHEMBL4546798) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3cc(Cl)cc(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24Cl2N2O2S2/c1-2-3-4-5-6-19(21(27)28)29-22-26-18-8-7-17(12-20(18)30-22)25-13-14-9-15(23)11-16(24)10-14/h7-12,19,25H,2-6,13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514827 (CHEMBL4445084) Show SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O |r| Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514841 (CHEMBL4446679) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C26H32N2O3S2/c1-5-6-7-8-9-21(24(30)31)32-25-28-20-15-14-19(16-22(20)33-25)27-23(29)17-10-12-18(13-11-17)26(2,3)4/h10-16,21H,5-9H2,1-4H3,(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514831 (CHEMBL4548480) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)cc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H25ClN2O2S2/c1-2-3-4-5-6-19(21(26)27)28-22-25-18-12-11-17(13-20(18)29-22)24-14-15-7-9-16(23)10-8-15/h7-13,19,24H,2-6,14H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514832 (CHEMBL4483378) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3cccc(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H25ClN2O2S2/c1-2-3-4-5-9-19(21(26)27)28-22-25-18-11-10-17(13-20(18)29-22)24-14-15-7-6-8-16(23)12-15/h6-8,10-13,19,24H,2-5,9,14H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514835 (CHEMBL4474407) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1)C(O)=O Show InChI InChI=1S/C21H23ClN2O4S3/c1-2-3-4-5-6-18(20(25)26)29-21-23-17-12-9-15(13-19(17)30-21)24-31(27,28)16-10-7-14(22)8-11-16/h7-13,18,24H,2-6H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair

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