Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'chao' and Initial = 'e'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002595 (Solabegron) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002595 (Solabegron) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					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 PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM22427 (4-[(1Z)-4-azido-1-{4-[2-(dimethylamino)ethoxy]phen...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-19-32-24-14-10-22(11-15-24)26(21-8-12-23(31)13-9-21)25(16-17-28-29-27)20-6-4-3-5-7-20/h3-15,31H,16-19H2,1-2H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127221 (CHEMBL289887 | {2-Methyl-4-[4-methyl-2-(4-trifluor...) Show SMILES Cc1nc(oc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO4S/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)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	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Maximum transcriptional activation of human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM22423 (4-[(1Z)-4-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C26H28ClNO2/c1-28(2)18-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-17-27)20-6-4-3-5-7-20/h3-15,29H,16-19H2,1-2H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22427 (4-[(1Z)-4-azido-1-{4-[2-(dimethylamino)ethoxy]phen...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-19-32-24-14-10-22(11-15-24)26(21-8-12-23(31)13-9-21)25(16-17-28-29-27)20-6-4-3-5-7-20/h3-15,31H,16-19H2,1-2H3/b26-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (docked)
Estrogen receptor (Homo sapiens (Human))	BDBM22429 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(m...) Show SMILES CSCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C28H33NO2S/c1-29(2)19-20-31-26-17-13-24(14-18-26)28(23-11-15-25(30)16-12-23)27(10-7-21-32-3)22-8-5-4-6-9-22/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3/b28-27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM22428 (4-[(1Z)-5-azido-1-{4-[2-(dimethylamino)ethoxy]phen...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30N4O2/c1-31(2)19-20-33-25-16-12-23(13-17-25)27(22-10-14-24(32)15-11-22)26(9-6-18-29-30-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,32H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22423 (4-[(1Z)-4-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C26H28ClNO2/c1-28(2)18-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-17-27)20-6-4-3-5-7-20/h3-15,29H,16-19H2,1-2H3/b26-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (docked)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252816 (2-(4-{Butyl[3-(2-hydroxyethoxy)benzyl]amino}phenyl...) Show SMILES CCCCN(Cc1cccc(CCO)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H25F6NO2/c1-2-3-12-29(15-17-6-4-5-16(14-17)11-13-30)19-9-7-18(8-10-19)20(31,21(23,24)25)22(26,27)28/h4-10,14,30-31H,2-3,11-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM21673 (N-[4-(1,1,1,3,3,4,4,5,5,5-decafluoro-2-hydroxypent...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F Show InChI InChI=1S/C19H12F13NO3S/c20-14(21,22)10-33(37(35,36)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(34,18(27,28)29)16(23,24)17(25,26)19(30,31)32/h1-9,34H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	10	n/a	n/a	8.0	22
University of North Carolina at Chapel Hill					Assay Description Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....				Bioorg Med Chem 15: 2156-66 (2007) Article DOI: 10.1016/j.bmc.2006.12.026 BindingDB Entry DOI: 10.7270/Q2PG1Q15
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM22426 ((5Z)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-6-(4-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCC#N)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C28H30N2O2/c1-30(2)20-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-19-29)22-8-4-3-5-9-22/h3-5,8-9,11-18,31H,6-7,10,20-21H2,1-2H3/b28-27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM21670 (N-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)...) Show SMILES OC(C1CCCCC1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C22H23F6NO3S/c23-20(24,25)15-29(33(31,32)19-9-5-2-6-10-19)18-13-11-17(12-14-18)21(30,22(26,27)28)16-7-3-1-4-8-16/h2,5-6,9-14,16,30H,1,3-4,7-8,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	3	n/a	n/a	8.0	22
University of North Carolina at Chapel Hill					Assay Description Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....				Bioorg Med Chem 15: 2156-66 (2007) Article DOI: 10.1016/j.bmc.2006.12.026 BindingDB Entry DOI: 10.7270/Q2PG1Q15
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252850 (2-{4-[Butyl(pyridin-4-ylmethyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1ccncc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-14-8-10-26-11-9-14)16-6-4-15(5-7-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252939 (2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]met...) Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H24ClF6NO3/c1-4-5-10-30(13-14-11-17(23)19(33-3)18(12-14)32-2)16-8-6-15(7-9-16)20(31,21(24,25)26)22(27,28)29/h6-9,11-12,31H,4-5,10,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252817 (2-{4-[Butyl(pyridin-2-ylmethyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1ccccn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-15-6-4-5-11-26-15)16-9-7-14(8-10-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19992 (2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...) Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252852 (3-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cccc(O)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO2/c1-2-3-11-27(13-14-5-4-6-17(28)12-14)16-9-7-15(8-10-16)18(29,19(21,22)23)20(24,25)26/h4-10,12,28-29H,2-3,11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252967 (2-{4-[Butyl(3,5-dichloro-4-methoxybenzyl)amino]phe...) Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21Cl2F6NO2/c1-3-4-9-30(12-13-10-16(22)18(32-2)17(23)11-13)15-7-5-14(6-8-15)19(31,20(24,25)26)21(27,28)29/h5-8,10-11,31H,3-4,9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252940 (4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252941 (2-{4-[Butyl(3,5-dichlorobenzyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19Cl2F6NO/c1-2-3-8-29(12-13-9-15(21)11-16(22)10-13)17-6-4-14(5-7-17)18(30,19(23,24)25)20(26,27)28/h4-7,9-11,30H,2-3,8,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127223 (CHEMBL37013 | {2-Methyl-4-[4-methyl-2-(4-trifluoro...) Show SMILES Cc1nc(oc1COc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO5/c1-12-9-16(7-8-17(12)29-11-19(26)27)28-10-18-13(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	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127215 (3-{4-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazo...) Show SMILES Cc1nc(sc1COc1ccc(CCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S/c1-13-18(12-28-17-9-2-14(3-10-17)4-11-19(26)27)29-20(25-13)15-5-7-16(8-6-15)21(22,23)24/h2-3,5-10H,4,11-12H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252851 (2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1ccccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO2/c1-2-3-12-27(13-14-6-4-5-7-17(14)28)16-10-8-15(9-11-16)18(29,19(21,22)23)20(24,25)26/h4-11,28-29H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	13	n/a	n/a	8.0	22
University of North Carolina at Chapel Hill					Assay Description Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....				Bioorg Med Chem 15: 2156-66 (2007) Article DOI: 10.1016/j.bmc.2006.12.026 BindingDB Entry DOI: 10.7270/Q2PG1Q15
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252815 (2-{4-[Benzyl(butyl)amino]phenyl}-1,1,1,3,3,3-hexaf...) Show SMILES CCCCN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO/c1-2-3-13-27(14-15-7-5-4-6-8-15)17-11-9-16(10-12-17)18(28,19(21,22)23)20(24,25)26/h4-12,28H,2-3,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252938 (4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cc(Cl)c(O)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H22ClF6NO3/c1-3-4-9-29(12-13-10-16(22)18(30)17(11-13)32-2)15-7-5-14(6-8-15)19(31,20(23,24)25)21(26,27)28/h5-8,10-11,30-31H,3-4,9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252908 (4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1ccc(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20ClF6NO2/c1-2-3-10-28(12-13-4-9-17(29)16(21)11-13)15-7-5-14(6-8-15)18(30,19(22,23)24)20(25,26)27/h4-9,11,29-30H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127218 (3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-pheny...) Show SMILES Cc1nc(sc1COc1ccc(CCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H20F3NO3S/c1-13-11-18(9-5-15(13)6-10-20(27)28)29-12-19-14(2)26-21(30-19)16-3-7-17(8-4-16)22(23,24)25/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM21671 (N-[4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phen...) Show SMILES OC(c1ccccc1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C22H17F6NO3S/c23-20(24,25)15-29(33(31,32)19-9-5-2-6-10-19)18-13-11-17(12-14-18)21(30,22(26,27)28)16-7-3-1-4-8-16/h1-14,30H,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	16	n/a	n/a	8.0	22
University of North Carolina at Chapel Hill					Assay Description Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....				Bioorg Med Chem 15: 2156-66 (2007) Article DOI: 10.1016/j.bmc.2006.12.026 BindingDB Entry DOI: 10.7270/Q2PG1Q15
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM22436 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-6-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C28H33NO3/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-20-30)22-8-4-3-5-9-22/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3/b28-27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127224 (3-{4-[4-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol...) Show SMILES Cc1nc(oc1COc1ccc(CCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO4/c1-13-18(12-28-17-9-2-14(3-10-17)4-11-19(26)27)29-20(25-13)15-5-7-16(8-6-15)21(22,23)24/h2-3,5-10H,4,11-12H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50252850 (2-{4-[Butyl(pyridin-4-ylmethyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1ccncc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-14-8-10-26-11-9-14)16-6-4-15(5-7-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127220 (CHEMBL37495 | {4-[4-Methyl-2-(4-trifluoromethyl-ph...) Show SMILES Cc1nc(oc1CSc1ccc(OCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H16F3NO4S/c1-12-17(11-29-16-8-6-15(7-9-16)27-10-18(25)26)28-19(24-12)13-2-4-14(5-3-13)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM22424 (4-[(1Z)-5-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCCl)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30ClNO2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50252816 (2-(4-{Butyl[3-(2-hydroxyethoxy)benzyl]amino}phenyl...) Show SMILES CCCCN(Cc1cccc(CCO)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H25F6NO2/c1-2-3-12-29(15-17-6-4-5-16(14-17)11-13-30)19-9-7-18(8-10-19)20(31,21(23,24)25)22(26,27)28/h4-10,14,30-31H,2-3,11-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252907 (2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cc(Cl)ccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20ClF6NO2/c1-2-3-10-28(12-13-11-15(21)6-9-17(13)29)16-7-4-14(5-8-16)18(30,19(22,23)24)20(25,26)27/h4-9,11,29-30H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50252817 (2-{4-[Butyl(pyridin-2-ylmethyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1ccccn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-15-6-4-5-11-26-15)16-9-7-14(8-10-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252854 (2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cccc(F)c1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20F7NO2/c1-2-3-11-28(12-13-5-4-6-16(21)17(13)29)15-9-7-14(8-10-15)18(30,19(22,23)24)20(25,26)27/h4-10,29-30H,2-3,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22424 (4-[(1Z)-5-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCCl)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30ClNO2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (docked)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22428 (4-[(1Z)-5-azido-1-{4-[2-(dimethylamino)ethoxy]phen...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30N4O2/c1-31(2)19-20-33-25-16-12-23(13-17-25)27(22-10-14-24(32)15-11-22)26(9-6-18-29-30-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,32H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (docked)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50252852 (3-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cccc(O)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO2/c1-2-3-11-27(13-14-5-4-6-17(28)12-14)16-9-7-15(8-10-16)18(29,19(21,22)23)20(24,25)26/h4-10,12,28-29H,2-3,11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252905 (2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cc(OC(F)(F)F)ccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H20F9NO3/c1-2-3-10-31(12-13-11-16(8-9-17(13)32)34-21(28,29)30)15-6-4-14(5-7-15)18(33,19(22,23)24)20(25,26)27/h4-9,11,32-33H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 243 total )  |  Next  |  Last  >>

Jump to: