Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50018854   

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))	BDBM50199778 (3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butox...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cscn1 Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-24(22(14-19)23-15-31-16-26-23)30-18(3)11-12-29-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50194627 ((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199780 (3-(4-((R)-3-(4-ethyl-2-(furan-2-yl)phenoxy)butoxy)...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccco1 Show InChI InChI=1S/C26H30O5/c1-4-20-7-11-25(23(17-20)24-6-5-14-30-24)31-19(3)13-15-29-22-10-8-21(18(2)16-22)9-12-26(27)28/h5-8,10-11,14,16-17,19H,4,9,12-13,15H2,1-3H3,(H,27,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199784 (3-(4-((R)-3-(4-ethyl-2-(oxazol-4-yl)phenoxy)butoxy...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cocn1 Show InChI InChI=1S/C25H29NO5/c1-4-19-5-9-24(22(14-19)23-15-29-16-26-23)31-18(3)11-12-30-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199777 (3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluor...) Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C26H26F3NO4/c1-17-15-21(9-6-19(17)7-11-25(31)32)33-14-12-18(2)34-24-10-8-20(26(27,28)29)16-22(24)23-5-3-4-13-30-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,31,32)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199772 (3-(4-((R)-3-(4-ethyl-2-(thiophen-3-yl)phenoxy)buto...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccsc1 Show InChI InChI=1S/C26H30O4S/c1-4-20-5-9-25(24(16-20)22-12-14-31-17-22)30-19(3)11-13-29-23-8-6-21(18(2)15-23)7-10-26(27)28/h5-6,8-9,12,14-17,19H,4,7,10-11,13H2,1-3H3,(H,27,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199781 (3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...) Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199776 (3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199779 (3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199775 (3-(4-((R)-3-(4-ethyl-2-(thiophen-2-yl)phenoxy)buto...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccs1 Show InChI InChI=1S/C26H30O4S/c1-4-20-7-11-24(23(17-20)25-6-5-15-31-25)30-19(3)13-14-29-22-10-8-21(18(2)16-22)9-12-26(27)28/h5-8,10-11,15-17,19H,4,9,12-14H2,1-3H3,(H,27,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50199782 (3-(4-((R)-3-(4-ethyl-2-(oxazol-2-yl)phenoxy)butoxy...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ncco1 Show InChI InChI=1S/C25H29NO5/c1-4-19-5-9-23(22(16-19)25-26-12-14-30-25)31-18(3)11-13-29-21-8-6-20(17(2)15-21)7-10-24(27)28/h5-6,8-9,12,14-16,18H,4,7,10-11,13H2,1-3H3,(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair