Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'usui' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50213768 (3-(4-(2-((4-(trifluoromethyl)benzyl)(benzo[d]thiaz...) Show SMILES OC(=O)CCc1ccc(OCCN(Cc2ccc(cc2)C(F)(F)F)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C26H23F3N2O3S/c27-26(28,29)20-10-5-19(6-11-20)17-31(25-30-22-3-1-2-4-23(22)35-25)15-16-34-21-12-7-18(8-13-21)9-14-24(32)33/h1-8,10-13H,9,14-17H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213769 (3-(4-(2-(benzo[d]thiazol-2-yl(thiophen-2-ylmethyl)...) Show SMILES OC(=O)CCc1ccc(OCCN(Cc2cccs2)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C23H22N2O3S2/c26-22(27)12-9-17-7-10-18(11-8-17)28-14-13-25(16-19-4-3-15-29-19)23-24-20-5-1-2-6-21(20)30-23/h1-8,10-11,15H,9,12-14,16H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50213768 (3-(4-(2-((4-(trifluoromethyl)benzyl)(benzo[d]thiaz...) Show SMILES OC(=O)CCc1ccc(OCCN(Cc2ccc(cc2)C(F)(F)F)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C26H23F3N2O3S/c27-26(28,29)20-10-5-19(6-11-20)17-31(25-30-22-3-1-2-4-23(22)35-25)15-16-34-21-12-7-18(8-13-21)9-14-24(32)33/h1-8,10-13H,9,14-17H2,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50213771 (3-(4-(2-((4-tert-butylbenzyl)(benzo[d]thiazol-2-yl...) Show SMILES CC(C)(C)c1ccc(CN(CCOc2ccc(CCC(O)=O)cc2)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C29H32N2O3S/c1-29(2,3)23-13-8-22(9-14-23)20-31(28-30-25-6-4-5-7-26(25)35-28)18-19-34-24-15-10-21(11-16-24)12-17-27(32)33/h4-11,13-16H,12,17-20H2,1-3H3,(H,32,33)	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	6.34E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213770 (3-(4-(2-(benzyl(6-chlorobenzo[d]thiazol-2-yl)amino...) Show SMILES OC(=O)CCc1ccc(OCCN(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)cc1 Show InChI InChI=1S/C25H23ClN2O3S/c26-20-9-12-22-23(16-20)32-25(27-22)28(17-19-4-2-1-3-5-19)14-15-31-21-10-6-18(7-11-21)8-13-24(29)30/h1-7,9-12,16H,8,13-15,17H2,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213772 (3-(4-(2-(benzo[d]thiazol-2-yl(benzyl)amino)ethoxy)...) Show SMILES Cc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(O)=O Show InChI InChI=1S/C26H26N2O3S/c1-19-17-22(13-11-21(19)12-14-25(29)30)31-16-15-28(18-20-7-3-2-4-8-20)26-27-23-9-5-6-10-24(23)32-26/h2-11,13,17H,12,14-16,18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213768 (3-(4-(2-((4-(trifluoromethyl)benzyl)(benzo[d]thiaz...) Show SMILES OC(=O)CCc1ccc(OCCN(Cc2ccc(cc2)C(F)(F)F)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C26H23F3N2O3S/c27-26(28,29)20-10-5-19(6-11-20)17-31(25-30-22-3-1-2-4-23(22)35-25)15-16-34-21-12-7-18(8-13-21)9-14-24(32)33/h1-8,10-13H,9,14-17H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	940	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213774 (3-(4-(3-((6-chlorobenzo[d]thiazol-2-yl)(thiophen-2...) Show SMILES Cc1cc(CCC(O)=O)ccc1OCCCN(Cc1cccs1)c1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C25H25ClN2O3S2/c1-17-14-18(6-10-24(29)30)5-9-22(17)31-12-3-11-28(16-20-4-2-13-32-20)25-27-21-8-7-19(26)15-23(21)33-25/h2,4-5,7-9,13-15H,3,6,10-12,16H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					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	85	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213775 (3-(4-(3-(benzo[d]thiazol-2-yl(benzyl)amino)propoxy...) Show SMILES OC(=O)CCc1ccc(OCCCN(Cc2ccccc2)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C26H26N2O3S/c29-25(30)16-13-20-11-14-22(15-12-20)31-18-6-17-28(19-21-7-2-1-3-8-21)26-27-23-9-4-5-10-24(23)32-26/h1-5,7-12,14-15H,6,13,16-19H2,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213771 (3-(4-(2-((4-tert-butylbenzyl)(benzo[d]thiazol-2-yl...) Show SMILES CC(C)(C)c1ccc(CN(CCOc2ccc(CCC(O)=O)cc2)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C29H32N2O3S/c1-29(2,3)23-13-8-22(9-14-23)20-31(28-30-25-6-4-5-7-26(25)35-28)18-19-34-24-15-10-21(11-16-24)12-17-27(32)33/h4-11,13-16H,12,17-20H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213777 (3-(4-(2-(benzo[d]thiazol-2-yl(benzyl)amino)ethoxy)...) Show SMILES CCc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(O)=O Show InChI InChI=1S/C27H28N2O3S/c1-2-21-18-23(14-12-22(21)13-15-26(30)31)32-17-16-29(19-20-8-4-3-5-9-20)27-28-24-10-6-7-11-25(24)33-27/h3-12,14,18H,2,13,15-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213776 (3-(4-(2-(benzyl(6-methylbenzo[d]thiazol-2-yl)amino...) Show SMILES Cc1ccc2nc(sc2c1)N(CCOc1ccc(CCC(O)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C26H26N2O3S/c1-19-7-13-23-24(17-19)32-26(27-23)28(18-21-5-3-2-4-6-21)15-16-31-22-11-8-20(9-12-22)10-14-25(29)30/h2-9,11-13,17H,10,14-16,18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50213773 (3-(4-(2-(benzo[d]thiazol-2-yl(benzyl)amino)ethoxy)...) Show SMILES OC(=O)CCc1ccc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C25H24N2O3S/c28-24(29)15-12-19-10-13-21(14-11-19)30-17-16-27(18-20-6-2-1-3-7-20)25-26-22-8-4-5-9-23(22)31-25/h1-11,13-14H,12,15-18H2,(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	2.81E+3	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay				Bioorg Med Chem Lett 17: 4351-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.017 BindingDB Entry DOI: 10.7270/Q2WM1D41
					More data for this Ligand-Target Pair