Compile Data Set for Download or QSAR

Found 3622 hits with Last Name = 'tice' and Initial = 'cm'   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50252445 (CHEMBL4070855) Show SMILES C[C@H]1[C@H](COc2ccc(F)cn2)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H24FN5O2/c1-15-5-7-20(28-25-9-10-26-28)19(12-15)22(29)27-11-3-4-17(16(27)2)14-30-21-8-6-18(23)13-24-21/h5-10,12-13,16-17H,3-4,11,14H2,1-2H3/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan plc, 2525 Dupont Drive, Irvine, CA 92612, USA. Electronic address: yajun.zheng@allergan.com. Curated by ChEMBL					Assay Description Displacement of (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from recombinant hum...				Bioorg Med Chem Lett 27: 2825-2837 (2017) Article DOI: 10.1016/j.bmcl.2017.04.079 BindingDB Entry DOI: 10.7270/Q2TF00SV
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304452 ((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...) Show SMILES CSCc1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)C)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H26F4N4O2S2/c1-13(2)17-11-28(15-5-6-16(22)18(9-15)33(4,30)31)7-8-29(17)20-26-10-14(12-32-3)19(27-20)21(23,24)25/h5-6,9-10,13,17H,7-8,11-12H2,1-4H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192752 (CHEMBL3905741) Show SMILES COc1ncnc(N2Cc3cn(nc3[C@H]2C(C)C)-c2cccc(c2)S(C)(=O)=O)c1F |r| Show InChI InChI=1S/C20H22FN5O3S/c1-12(2)18-17-13(9-25(18)19-16(21)20(29-3)23-11-22-19)10-26(24-17)14-6-5-7-15(8-14)30(4,27)28/h5-8,10-12,18H,9H2,1-4H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177016 (CHEMBL3814501) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Cl)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H21ClF4N4O2S/c1-11(2)15-10-27(12-4-5-14(21)16(8-12)31(3,29)30)6-7-28(15)18-25-9-13(20)17(26-18)19(22,23)24/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304505 ((R)-5-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Cl)c(n1)C(C)(C)C)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H30ClFN4O2S/c1-14(2)18-13-27(15-7-8-17(24)19(11-15)31(6,29)30)9-10-28(18)21-25-12-16(23)20(26-21)22(3,4)5/h7-8,11-12,14,18H,9-10,13H2,1-6H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177012 (CHEMBL3814153 | US10144715, Compound 7-32) Show SMILES CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H22F4N4O2S/c1-12(2)15-11-26(13-4-5-14(20)16(10-13)30(3,28)29)8-9-27(15)18-24-7-6-17(25-18)19(21,22)23/h4-7,10,12,15H,8-9,11H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304526 ((R)-5-cyclopropyl-2-(4-(4-fluoro-3-(methylsulfonyl...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Br)c(n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H22BrF3N4O2S/c1-12(2)16-11-26(13-5-4-6-14(9-13)30(3,28)29)7-8-27(16)18-24-10-15(20)17(25-18)19(21,22)23/h4-6,9-10,12,16H,7-8,11H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304444 ((R)-(4-(3-isopropyl-4-(5-(prop-1-en-2-yl)-4-(trifl...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(C(C)=C)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H29F3N4O3S/c1-14(2)18-11-27-22(28-21(18)23(24,25)26)30-9-8-29(12-19(30)15(3)4)17-7-6-16(13-31)20(10-17)34(5,32)33/h6-7,10-11,15,19,31H,1,8-9,12-13H2,2-5H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177012 (CHEMBL3814153 | US10144715, Compound 7-32) Show SMILES CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H22F4N4O2S/c1-12(2)15-11-26(13-4-5-14(20)16(10-13)30(3,28)29)8-9-27(15)18-24-7-6-17(25-18)19(21,22)23/h4-7,10,12,15H,8-9,11H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177010 (CHEMBL3814006) Show SMILES CS(=O)(=O)c1cc(ccc1CO)-c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2C(F)(F)F)s1 Show InChI InChI=1S/C27H24F3NO5S3/c1-38(33,34)26-15-20(11-12-21(26)18-32)24-14-13-22(37-24)17-31(16-19-7-3-2-4-8-19)39(35,36)25-10-6-5-9-23(25)27(28,29)30/h2-15,32H,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304419 ((R)-(2-fluoro-4-(4-(5-(hydroxymethyl)-4-(trifluoro...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1cc(F)c(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H26F4N4O4S/c1-12(2)17-9-28(14-6-16(22)15(11-31)18(7-14)34(3,32)33)4-5-29(17)20-26-8-13(10-30)19(27-20)21(23,24)25/h6-8,12,17,30-31H,4-5,9-11H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304616 ((S)-2-isopropyl-4-(3-(methylsulfonyl)phenyl)-1-(((...) Show SMILES CC(C)[C@H]1CN(CCN1C(=O)C1CC[C@@](C)(O)CC1)c1cccc(c1)S(C)(=O)=O |r,wU:14.16,wD:3.2,14.15,(-5.5,4.22,;-3.96,4.22,;-3.19,2.89,;-3.19,5.56,;-1.65,5.56,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-7.81,8.22,;-8.58,9.56,;-7.81,10.89,;-8.58,12.22,;-7.04,12.22,;-6.27,10.89,;-5.5,9.56,;.66,6.89,;1.43,5.56,;2.97,5.56,;3.74,6.89,;2.97,8.22,;1.43,8.22,;3.74,9.56,;2.97,10.89,;5.07,10.33,;5.07,8.79,)| Show InChI InChI=1S/C22H34N2O4S/c1-16(2)20-15-23(18-6-5-7-19(14-18)29(4,27)28)12-13-24(20)21(25)17-8-10-22(3,26)11-9-17/h5-7,14,16-17,20,26H,8-13,15H2,1-4H3/t17?,20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304523 ((R)-2-isopropyl-1-(6-methyl-5-(trifluoromethyl)pyr...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(c(C)n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H26F3N3O2S/c1-14(2)19-13-26(16-6-5-7-17(12-16)30(4,28)29)10-11-27(19)20-9-8-18(15(3)25-20)21(22,23)24/h5-9,12,14,19H,10-11,13H2,1-4H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304681 ((4-((S)-3-isopropyl-4-(((1r,4S)-4-methoxy-4-(trifl...) Show SMILES CO[C@]1(CC[C@H](CN2CCN(C[C@@H]2C(C)C)c2ccc(CO)c(c2)S(C)(=O)=O)CC1)C(F)(F)F |r,wU:2.1,wD:5.5,12.13,2.32,(-4.86,4.25,;-5.95,3.16,;-5.55,1.67,;-4.06,2.07,;-2.98,.98,;-3.37,-.51,;-2.28,-1.59,;-.8,-1.2,;-.4,.29,;1.09,.69,;2.18,-.4,;1.78,-1.89,;.29,-2.28,;-.11,-3.77,;-1.59,-4.17,;.98,-4.86,;3.67,,;4.75,-1.09,;6.24,-.69,;6.64,.8,;8.13,1.2,;8.53,2.68,;5.55,1.89,;4.06,1.49,;5.95,3.37,;7.44,2.98,;6.35,4.86,;4.46,3.77,;-4.86,-.9,;-5.95,.18,;-7.04,2.07,;-8.53,2.47,;-6.64,3.56,;-7.44,.58,)| Show InChI InChI=1S/C24H37F3N2O4S/c1-17(2)21-15-28(20-6-5-19(16-30)22(13-20)34(4,31)32)11-12-29(21)14-18-7-9-23(33-3,10-8-18)24(25,26)27/h5-6,13,17-18,21,30H,7-12,14-16H2,1-4H3/t18-,21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304525 ((R)-2-(2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(C)(C)O)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28F4N4O3S/c1-13(2)17-12-29(14-6-7-16(23)18(10-14)34(5,32)33)8-9-30(17)20-27-11-15(22(24,25)26)19(28-20)21(3,4)31/h6-7,10-11,13,17,31H,8-9,12H2,1-5H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304682 ((4-((S)-3-isopropyl-4-(((1s,4R)-4-methoxy-4-(trifl...) Show SMILES CO[C@@]1(CC[C@H](CN2CCN(C[C@@H]2C(C)C)c2ccc(CO)c(c2)S(C)(=O)=O)CC1)C(F)(F)F |r,wU:2.32,wD:5.5,12.13,2.1,(-4.86,4.25,;-5.95,3.16,;-5.55,1.67,;-4.06,2.07,;-2.98,.98,;-3.37,-.51,;-2.28,-1.59,;-.8,-1.2,;-.4,.29,;1.09,.69,;2.18,-.4,;1.78,-1.89,;.29,-2.28,;-.11,-3.77,;-1.59,-4.17,;.98,-4.86,;3.67,,;4.75,-1.09,;6.24,-.69,;6.64,.8,;8.13,1.2,;8.53,2.68,;5.55,1.89,;4.06,1.49,;5.95,3.37,;7.44,2.98,;6.35,4.86,;4.46,3.77,;-4.86,-.9,;-5.95,.18,;-7.04,2.07,;-8.53,2.47,;-6.64,3.56,;-7.44,.58,)| Show InChI InChI=1S/C24H37F3N2O4S/c1-17(2)21-15-28(20-6-5-19(16-30)22(13-20)34(4,31)32)11-12-29(21)14-18-7-9-23(33-3,10-8-18)24(25,26)27/h5-6,13,17-18,21,30H,7-12,14-16H2,1-4H3/t18-,21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177015 (CHEMBL3814206 | US10144715, Compound 19-1) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177015 (CHEMBL3814206 | US10144715, Compound 19-1) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177015 (CHEMBL3814206 | US10144715, Compound 19-1) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50177016 (CHEMBL3814501) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Cl)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H21ClF4N4O2S/c1-11(2)15-10-27(12-4-5-14(21)16(8-12)31(3,29)30)6-7-28(15)18-25-9-13(20)17(26-18)19(22,23)24/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRalpha ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192753 (CHEMBL3985591) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(nc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O2S/c1-12(2)20-19-14(10-28(20)18-9-17(21(22,23)24)25-13(3)26-18)11-29(27-19)15-6-5-7-16(8-15)32(4,30)31/h5-9,11-12,20H,10H2,1-4H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304524 (1-(2-((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C#N)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H21F4N5O2S/c1-12(2)17-11-28(13-4-5-15(21)18(8-13)32(3,30)31)6-7-29(17)19-26-10-14(20(22,23)24)16(9-25)27-19/h4-5,8,10,12,17H,6-7,11H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304522 ((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(C)n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H24F4N4O2S/c1-12(2)17-11-27(14-5-6-16(21)18(9-14)31(4,29)30)7-8-28(17)19-25-10-15(13(3)26-19)20(22,23)24/h5-6,9-10,12,17H,7-8,11H2,1-4H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304514 ((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)c(n1)C(F)(F)F)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H34BF3N4O4/c1-17(2)20-15-33(23(35)36-16-18-10-8-7-9-11-18)12-13-34(20)22-31-14-19(21(32-22)26(28,29)30)27-37-24(3,4)25(5,6)38-27/h7-11,14,17,20H,12-13,15-16H2,1-6H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304512 ((R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)p...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(-c2nc(C)cs2)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H28F3N5O3S2/c1-14(2)19-11-31(7-8-32(19)23-28-10-16(12-33)21(30-23)24(25,26)27)17-5-6-18(20(9-17)37(4,34)35)22-29-15(3)13-36-22/h5-6,9-10,13-14,19,33H,7-8,11-12H2,1-4H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM304505 ((R)-5-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Cl)c(n1)C(C)(C)C)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H30ClFN4O2S/c1-14(2)18-13-27(15-7-8-17(24)19(11-15)31(6,29)30)9-10-28(18)21-25-12-16(23)20(26-21)22(3,4)5/h7-8,11-12,14,18H,9-10,13H2,1-6H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304441 ((R)-5-(4-(5-acetyl-4-(trifluoromethyl)pyrimidin-2-...) Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)c1ccc(F)cc1)c1ncc(C(C)=O)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F5N5O3S/c1-14(35)18-12-31-23(32-22(18)24(27,28)29)34-10-9-33(13-20(34)15-3-5-16(25)6-4-15)17-7-8-19(26)21(11-17)38(36,37)30-2/h3-8,11-12,20,30H,9-10,13H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304431 (1-(2-((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(C(C)O)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H26F4N4O3S/c1-12(2)17-11-28(14-5-6-16(22)18(9-14)33(4,31)32)7-8-29(17)20-26-10-15(13(3)30)19(27-20)21(23,24)25/h5-6,9-10,12-13,17,30H,7-8,11H2,1-4H3/t13?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304438 (2-fluoro-5-((3R)-4-(5-(1-hydroxyethyl)-4-(trifluor...) Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(C(C)O)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H27F4N5O3S/c1-12(2)17-11-29(14-5-6-16(22)18(9-14)34(32,33)26-4)7-8-30(17)20-27-10-15(13(3)31)19(28-20)21(23,24)25/h5-6,9-10,12-13,17,26,31H,7-8,11H2,1-4H3/t13?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304521 ((R)-4-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(Cl)n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H21ClF4N4O2S/c1-11(2)15-10-27(12-4-5-14(21)16(8-12)31(3,29)30)6-7-28(15)18-25-9-13(17(20)26-18)19(22,23)24/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304368 ((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...) Show SMILES CC(C)[C@@H]1CN(CCN1c1cnc(cn1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H22F4N4O2S/c1-12(2)15-11-26(13-4-5-14(20)16(8-13)30(3,28)29)6-7-27(15)18-10-24-17(9-25-18)19(21,22)23/h4-5,8-10,12,15H,6-7,11H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192757 (CHEMBL3914727) Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM304506 ((R)-5-bromo-2-(4-(4-fluoro-3-(methylsulfonyl)pheny...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Br)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H21BrF4N4O2S/c1-11(2)15-10-27(12-4-5-14(21)16(8-12)31(3,29)30)6-7-28(15)18-25-9-13(20)17(26-18)19(22,23)24/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharamceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9814715 (2017) BindingDB Entry DOI: 10.7270/Q23R0W1B
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) Show SMILES CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H23F3N4O2S/c1-13(2)16-12-25(14-5-4-6-15(11-14)29(3,27)28)9-10-26(16)18-23-8-7-17(24-18)19(20,21)22/h4-8,11,13,16H,9-10,12H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304521 ((R)-4-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(Cl)n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H21ClF4N4O2S/c1-11(2)15-10-27(12-4-5-14(21)16(8-12)31(3,29)30)6-7-28(15)18-25-9-13(17(20)26-18)19(22,23)24/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) Show SMILES CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H23F3N4O2S/c1-13(2)16-12-25(14-5-4-6-15(11-14)29(3,27)28)9-10-26(16)18-23-8-7-17(24-18)19(20,21)22/h4-8,11,13,16H,9-10,12H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304360 ((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopro...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23F4N3O2S/c1-13(2)17-12-26(15-5-6-16(21)18(10-15)30(3,28)29)8-9-27(17)19-7-4-14(11-25-19)20(22,23)24/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304509 ((R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)p...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)C#N)c1ccc(CCO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H32F3N5O3S/c1-16(2)20-14-32(18-7-6-17(8-11-34)21(12-18)37(5,35)36)9-10-33(20)23-30-13-19(24(3,4)15-29)22(31-23)25(26,27)28/h6-7,12-13,16,20,34H,8-11,14H2,1-5H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304402 ((R)-2-fluoro-5-(4-(5-(2-hydroxypropan-2-yl)-4-(tri...) Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(c(n1)C(F)(F)F)C(C)(C)O |r| Show InChI InChI=1S/C22H29F4N5O3S/c1-13(2)17-12-30(14-6-7-16(23)18(10-14)35(33,34)27-5)8-9-31(17)20-28-11-15(21(3,4)32)19(29-20)22(24,25)26/h6-7,10-11,13,17,27,32H,8-9,12H2,1-5H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304622 ((S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methy...) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F |r,wD:14.17,27.33,(2.97,10.89,;3.74,9.56,;5.07,10.33,;5.07,8.79,;2.97,8.22,;3.74,6.89,;2.97,5.56,;1.43,5.56,;.66,6.89,;1.43,8.22,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-3.19,5.56,;-1.65,5.56,;-3.96,4.22,;-5.5,4.22,;-6.27,2.89,;-5.5,1.55,;-3.96,1.55,;-3.19,2.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-7.81,8.22,;-8.58,9.56,;-7.81,10.89,;-6.27,10.89,;-5.5,9.56,;-8.58,12.22,;-10.12,12.22,;-7.81,13.56,)| Show InChI InChI=1S/C25H30F2N2O3S/c1-33(31,32)22-9-5-8-21(16-22)28-14-15-29(23(17-28)18-6-3-2-4-7-18)25(30)20-12-10-19(11-13-20)24(26)27/h2-9,16,19-20,23-24H,10-15,17H2,1H3/t19-,20?,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM304681 ((4-((S)-3-isopropyl-4-(((1r,4S)-4-methoxy-4-(trifl...) Show SMILES CO[C@]1(CC[C@H](CN2CCN(C[C@@H]2C(C)C)c2ccc(CO)c(c2)S(C)(=O)=O)CC1)C(F)(F)F |r,wU:2.1,wD:5.5,12.13,2.32,(-4.86,4.25,;-5.95,3.16,;-5.55,1.67,;-4.06,2.07,;-2.98,.98,;-3.37,-.51,;-2.28,-1.59,;-.8,-1.2,;-.4,.29,;1.09,.69,;2.18,-.4,;1.78,-1.89,;.29,-2.28,;-.11,-3.77,;-1.59,-4.17,;.98,-4.86,;3.67,,;4.75,-1.09,;6.24,-.69,;6.64,.8,;8.13,1.2,;8.53,2.68,;5.55,1.89,;4.06,1.49,;5.95,3.37,;7.44,2.98,;6.35,4.86,;4.46,3.77,;-4.86,-.9,;-5.95,.18,;-7.04,2.07,;-8.53,2.47,;-6.64,3.56,;-7.44,.58,)| Show InChI InChI=1S/C24H37F3N2O4S/c1-17(2)21-15-28(20-6-5-19(16-30)22(13-20)34(4,31)32)11-12-29(21)14-18-7-9-23(33-3,10-8-18)24(25,26)27/h5-6,13,17-18,21,30H,7-12,14-16H2,1-4H3/t18-,21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304636 ((S)-4-(3-(methylsulfonyl)phenyl)-2-phenyl-1-(((1s,...) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)(F)F |r,wU:27.33,wD:14.17,(2.97,10.89,;3.74,9.56,;5.07,10.33,;5.07,8.79,;2.97,8.22,;3.74,6.89,;2.97,5.56,;1.43,5.56,;.66,6.89,;1.43,8.22,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-3.19,5.56,;-1.65,5.56,;-3.96,4.22,;-5.5,4.22,;-6.27,2.89,;-5.5,1.55,;-3.96,1.55,;-3.19,2.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-5.5,9.56,;-6.27,10.89,;-7.81,10.89,;-8.58,9.56,;-7.81,8.22,;-8.58,12.22,;-10.12,12.22,;-7.81,13.56,;-7.04,12.22,)| Show InChI InChI=1S/C25H29F3N2O3S/c1-34(32,33)22-9-5-8-21(16-22)29-14-15-30(23(17-29)18-6-3-2-4-7-18)24(31)19-10-12-20(13-11-19)25(26,27)28/h2-9,16,19-20,23H,10-15,17H2,1H3/t19?,20-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192750 (CHEMBL3940521) Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)(C)C)-c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N4O3S/c1-22(2,3)21-20-15(13-25(21)16-9-10-23-19(12-16)29-4)14-26(24-20)17-7-6-8-18(11-17)30(5,27)28/h6-12,14,21H,13H2,1-5H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304510 ((R)-2-(2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...) Show SMILES CC(C)[C@@H]1CN(CCN1c1nc(c(s1)C(C)(C)O)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27F4N3O3S2/c1-12(2)15-11-27(13-6-7-14(22)16(10-13)33(5,30)31)8-9-28(15)19-26-17(21(23,24)25)18(32-19)20(3,4)29/h6-7,10,12,15,29H,8-9,11H2,1-5H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192761 (CHEMBL3978980) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192758 (CHEMBL3976470) Show SMILES COc1cc(cc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N4O3S/c1-14(2)22-21-16(12-25(22)18-9-15(3)23-20(11-18)29-4)13-26(24-21)17-7-6-8-19(10-17)30(5,27)28/h6-11,13-14,22H,12H2,1-5H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192756 (CHEMBL3932169) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM304433 ((R)-1-(2-((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc([C@H](C)O)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H26F4N4O3S/c1-12(2)17-11-28(14-5-6-16(22)18(9-14)33(4,31)32)7-8-29(17)20-26-10-15(13(3)30)19(27-20)21(23,24)25/h5-6,9-10,12-13,17,30H,7-8,11H2,1-4H3/t13-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 3622 total )  |  Next  |  Last  >>

Jump to: