Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'kaupang'   

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 delta (Homo sapiens (Human))	BDBM50415440 (CHEMBL598608 | GSK-3787) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 24 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50383371 (CHEMBL2030550) Show SMILES CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1 Show InChI InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 40 mins by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50383371 (CHEMBL2030550) Show SMILES CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1 Show InChI InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 40 mins by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50383373 (CHEMBL592652 | GSK0660) Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to N-terminal hexa-histidine tagged and fluorescein-labeled human PPAR-beta/delta (164 to 441 residues) expressed in Escherichia col...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50134238 (CHEMBL3740002) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-6-16(24-11-14)28(26,27)8-7-22-17(25)13-9-12-3-1-2-4-15(12)23-10-13/h1-6,9-11H,7-8H2,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 24 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50079260 (CHEMBL3416764) Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 3 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50415440 (CHEMBL598608 | GSK-3787) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 2 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50079260 (CHEMBL3416764) Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 2 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50079260 (CHEMBL3416764) Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	423	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 1 hr by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50134237 (CHEMBL3740369) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc2CCCCc2c1 Show InChI InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	598	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 3 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50415440 (CHEMBL598608 | GSK-3787) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	648	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 1 hr by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50134237 (CHEMBL3740369) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc2CCCCc2c1 Show InChI InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	907	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 2 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50079260 (CHEMBL3416764) Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	949	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 20 mins by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50415440 (CHEMBL598608 | GSK-3787) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 20 mins by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50134238 (CHEMBL3740002) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-6-16(24-11-14)28(26,27)8-7-22-17(25)13-9-12-3-1-2-4-15(12)23-10-13/h1-6,9-11H,7-8H2,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 3 hrs by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50134239 (CHEMBL3740264) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H15F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12H,9-10H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 20 mins by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50134237 (CHEMBL3740369) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc2CCCCc2c1 Show InChI InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 20 mins by TR-FRET assay				Bioorg Med Chem 24: 247-60 (2016) Article DOI: 10.1016/j.bmc.2015.12.012 BindingDB Entry DOI: 10.7270/Q2Z89F70
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50415440 (CHEMBL598608 | GSK-3787) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Antagonist activity against pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as inhibition of GW501516-i...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50079260 (CHEMBL3416764) Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Antagonist activity against pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as inhibition of GW501516-i...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28661 (2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Agonist activity at pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as receptor activation incubated fo...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair				3D Structure (crystal)