Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'fredenburg' and Initial = 'ra'   

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
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23274 ((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1Cl Show InChI InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28913 (2-mercaptoacetamide, 12l | N-[3-(4-nitrophenyl)-1H...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C11H10N4O3S/c16-11(6-19)12-10-5-9(13-14-10)7-1-3-8(4-2-7)15(17)18/h1-5,19H,6H2,(H2,12,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28906 (2-mercaptoacetamide, 12a | N-[3-(4-chlorophenyl)-1...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28917 (2-mercaptoacetamide, 12g | N-[3-(3-chlorophenyl)-1...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C11H10ClN3OS/c12-8-3-1-2-7(4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28911 (2-mercaptoacetamide, 12i | N-[3-(4-bromophenyl)-1H...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccc(Br)cc1 Show InChI InChI=1S/C11H10BrN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28918 (2-mercaptoacetamide, 12f | 2-sulfanyl-N-{3-[2-(tri...) Show SMILES FC(F)(F)c1ccccc1-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C12H10F3N3OS/c13-12(14,15)8-4-2-1-3-7(8)9-5-10(18-17-9)16-11(19)6-20/h1-5,20H,6H2,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28912 (2-mercaptoacetamide, 12d | 2-sulfanyl-N-{3-[4-(tri...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C12H10F3N3OS/c13-12(14,15)8-3-1-7(2-4-8)9-5-10(18-17-9)16-11(19)6-20/h1-5,20H,6H2,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28919 (2-mercaptoacetamide, 12c | 2-sulfanyl-N-{3-[3-(tri...) Show SMILES FC(F)(F)c1cccc(c1)-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C12H10F3N3OS/c13-12(14,15)8-3-1-2-7(4-8)9-5-10(18-17-9)16-11(19)6-20/h1-5,20H,6H2,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28910 (2-mercaptoacetamide, 12h | N-[3-(4-fluorophenyl)-1...) Show SMILES Fc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28909 (2-mercaptoacetamide, 12e | N-(3-phenyl-1H-pyrazol-...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccccc1 Show InChI InChI=1S/C11H11N3OS/c15-11(7-16)12-10-6-9(13-14-10)8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28914 (2-mercaptoacetamide, 12j | N-[3-(4-methylphenyl)-1...) Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C12H13N3OS/c1-8-2-4-9(5-3-8)10-6-11(15-14-10)13-12(16)7-17/h2-6,17H,7H2,1H3,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28916 (2-mercaptoacetamide, 12b | N-[3-(2-chlorophenyl)-1...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccccc1Cl Show InChI InChI=1S/C11H10ClN3OS/c12-8-4-2-1-3-7(8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28915 (2-mercaptoacetamide, 12k | N-[3-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C12H13N3O2S/c1-17-9-4-2-8(3-5-9)10-6-11(15-14-10)13-12(16)7-18/h2-6,18H,7H2,1H3,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.45E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28905 (3-mercaptopropionamide analog, 5 | N-[3-(4-chlorop...) Show SMILES SCCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H12ClN3OS/c13-9-3-1-8(2-4-9)10-7-11(16-15-10)14-12(17)5-6-18/h1-4,7,18H,5-6H2,(H2,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+5	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28907 (2-hydroxyacetamide, 6 | N-[3-(4-chlorophenyl)-1H-p...) Show SMILES OCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H10ClN3O2/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(17)6-16/h1-5,16H,6H2,(H2,13,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28908 (N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide | ...) Show SMILES CC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H10ClN3O/c1-7(16)13-11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM323617 (US10188627, Comparator Cmpd. 1) Show SMILES CN(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C25H27NO5/c1-26(25(29)20-14-12-19(13-15-20)22-10-7-17-31-22)18-21-8-4-5-9-23(21)30-16-6-2-3-11-24(27)28/h4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM323617 (US10188627, Comparator Cmpd. 1) Show SMILES CN(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C25H27NO5/c1-26(25(29)20-14-12-19(13-15-20)22-10-7-17-31-22)18-21-8-4-5-9-23(21)30-16-6-2-3-11-24(27)28/h4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM323597 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+	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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARgamma LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged PPARdelta (unknown origin) by SPR assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192831 (CHEMBL3895104 | US10188627, Compound 8h) Show SMILES CC(CCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CCC(O)=O Show InChI InChI=1S/C26H29NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,16,19H,9,14-15,17-18H2,1-2H3,(H,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	990	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50452128 (CHEMBL4214179) Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r| Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192835 (CHEMBL3981654 | US10188627, Compound 8x) Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r| Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/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	330	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50452129 (CHEMBL4206950) Show SMILES C[C@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CC(O)=O |r| Show InChI InChI=1S/C26H29NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16,19H,5,7,15,17-18H2,1-2H3,(H,28,29)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	417	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM323603 (6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phe...) Show SMILES CC(CCCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)C(O)=O Show InChI InChI=1S/C26H29NO5/c1-19(26(29)30)8-5-6-16-31-24-10-4-3-9-22(24)18-27(2)25(28)21-14-12-20(13-15-21)23-11-7-17-32-23/h3-4,7,9-15,17,19H,5-6,8,16,18H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50452130 (CHEMBL4203252) Show SMILES CN(Cc1ccccc1OCC(=O)NCCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C24H24N2O6/c1-26(24(30)18-10-8-17(9-11-18)20-7-4-14-31-20)15-19-5-2-3-6-21(19)32-16-22(27)25-13-12-23(28)29/h2-11,14H,12-13,15-16H2,1H3,(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	>1.00E+3	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM323599 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C=C(/C)C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(26(29)30)8-5-6-16-31-24-10-4-3-9-22(24)18-27(2)25(28)21-14-12-20(13-15-21)23-11-7-17-32-23/h3-4,7-15,17H,5-6,16,18H2,1-2H3,(H,29,30)/b19-8+	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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM323617 (US10188627, Comparator Cmpd. 1) Show SMILES CN(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C25H27NO5/c1-26(25(29)20-14-12-19(13-15-20)22-10-7-17-31-22)18-21-8-4-5-9-23(21)30-16-6-2-3-11-24(27)28/h4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192831 (CHEMBL3895104 | US10188627, Compound 8h) Show SMILES CC(CCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CCC(O)=O Show InChI InChI=1S/C26H29NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,16,19H,9,14-15,17-18H2,1-2H3,(H,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	40	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM323599 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C=C(/C)C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(26(29)30)8-5-6-16-31-24-10-4-3-9-22(24)18-27(2)25(28)21-14-12-20(13-15-21)23-11-7-17-32-23/h3-4,7-15,17H,5-6,16,18H2,1-2H3,(H,29,30)/b19-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM323616 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C25H25NO5/c1-26(25(29)20-14-12-19(13-15-20)22-10-7-17-31-22)18-21-8-4-5-9-23(21)30-16-6-2-3-11-24(27)28/h3-5,7-15,17H,2,6,16,18H2,1H3,(H,27,28)/b11-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50452128 (CHEMBL4214179) Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r| Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50452131 (CHEMBL4210212) Show SMILES C[C@@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CC(O)=O |r| Show InChI InChI=1S/C26H29NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16,19H,5,7,15,17-18H2,1-2H3,(H,28,29)/t19-/m0/s1	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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50452129 (CHEMBL4206950) Show SMILES C[C@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CC(O)=O |r| Show InChI InChI=1S/C26H29NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16,19H,5,7,15,17-18H2,1-2H3,(H,28,29)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM323617 (US10188627, Comparator Cmpd. 1) Show SMILES CN(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C25H27NO5/c1-26(25(29)20-14-12-19(13-15-20)22-10-7-17-31-22)18-21-8-4-5-9-23(21)30-16-6-2-3-11-24(27)28/h4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM323603 (6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phe...) Show SMILES CC(CCCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)C(O)=O Show InChI InChI=1S/C26H29NO5/c1-19(26(29)30)8-5-6-16-31-24-10-4-3-9-22(24)18-27(2)25(28)21-14-12-20(13-15-21)23-11-7-17-32-23/h3-4,7,9-15,17,19H,5-6,8,16,18H2,1-2H3,(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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM323607 (6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phe...) Show SMILES CN(Cc1ccccc1OCCCCC(C)(C)C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C27H31NO5/c1-27(2,26(30)31)16-6-7-17-32-24-10-5-4-9-22(24)19-28(3)25(29)21-14-12-20(13-15-21)23-11-8-18-33-23/h4-5,8-15,18H,6-7,16-17,19H2,1-3H3,(H,30,31)	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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50452131 (CHEMBL4210212) Show SMILES C[C@@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CC(O)=O |r| Show InChI InChI=1S/C26H29NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16,19H,5,7,15,17-18H2,1-2H3,(H,28,29)/t19-/m0/s1	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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50192835 (CHEMBL3981654 | US10188627, Compound 8x) Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r| Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM323616 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C25H25NO5/c1-26(25(29)20-14-12-19(13-15-20)22-10-7-17-31-22)18-21-8-4-5-9-23(21)30-16-6-2-3-11-24(27)28/h3-5,7-15,17H,2,6,16,18H2,1H3,(H,27,28)/b11-3+	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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM323597 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+	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
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50192831 (CHEMBL3895104 | US10188627, Compound 8h) Show SMILES CC(CCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CCC(O)=O Show InChI InChI=1S/C26H29NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,16,19H,9,14-15,17-18H2,1-2H3,(H,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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM323607 (6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phe...) Show SMILES CN(Cc1ccccc1OCCCCC(C)(C)C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C27H31NO5/c1-27(2,26(30)31)16-6-7-17-32-24-10-5-4-9-22(24)19-28(3)25(29)21-14-12-20(13-15-21)23-11-8-18-33-23/h4-5,8-15,18H,6-7,16-17,19H2,1-3H3,(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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50452131 (CHEMBL4210212) Show SMILES C[C@@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CC(O)=O |r| Show InChI InChI=1S/C26H29NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16,19H,5,7,15,17-18H2,1-2H3,(H,28,29)/t19-/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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50192835 (CHEMBL3981654 | US10188627, Compound 8x) Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r| Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM323616 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C25H25NO5/c1-26(25(29)20-14-12-19(13-15-20)22-10-7-17-31-22)18-21-8-4-5-9-23(21)30-16-6-2-3-11-24(27)28/h3-5,7-15,17H,2,6,16,18H2,1H3,(H,27,28)/b11-3+	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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM323599 ((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...) Show SMILES CN(Cc1ccccc1OCCC\C=C(/C)C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(26(29)30)8-5-6-16-31-24-10-4-3-9-22(24)18-27(2)25(28)21-14-12-20(13-15-21)23-11-7-17-32-23/h3-4,7-15,17H,5-6,16,18H2,1-2H3,(H,29,30)/b19-8+	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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50192831 (CHEMBL3895104 | US10188627, Compound 8h) Show SMILES CC(CCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CCC(O)=O Show InChI InChI=1S/C26H29NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,16,19H,9,14-15,17-18H2,1-2H3,(H,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	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair

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