Found 52 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM19993' 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 |
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
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| PDB Article PubMed
| 24 | 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 LXRalpha 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-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
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Similars
| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]T0901317 from human recombinant LXRalpha-LBD |
Bioorg Med Chem Lett 20: 209-12 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.132 BindingDB Entry DOI: 10.7270/Q2KW5G4B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]T0901317 from human recombinant LXRalpha LBD |
Bioorg Med Chem Lett 20: 526-30 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.099 BindingDB Entry DOI: 10.7270/Q2HT2PDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]T0901317 from human recombinant LXRalpha LBD |
Bioorg Med Chem Lett 20: 521-5 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method |
Bioorg Med Chem Lett 20: 689-93 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.062 BindingDB Entry DOI: 10.7270/Q2W66KV8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]T0901317 from LXRalpha ligand binding domain |
Bioorg Med Chem Lett 20: 2903-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.031 BindingDB Entry DOI: 10.7270/Q2TD9XJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]T0901317 from human LXRalpha ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to LXRalpha by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Agonist activity at Gal4-fused LXRalpha LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assay |
J Med Chem 62: 4716-4730 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00327 BindingDB Entry DOI: 10.7270/Q24T6NSK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| 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) |
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
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| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa... |
Bioorg Med Chem Lett 22: 2407-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.028 BindingDB Entry DOI: 10.7270/Q2M61M77 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRalpha ligand binding domain (197-447) expressed in Escherichia ... |
Bioorg Med Chem 17: 3519-27 (2009)
Article DOI: 10.1016/j.bmc.2009.04.012 BindingDB Entry DOI: 10.7270/Q2T72HH5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Activity against LXR alpha transiently transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 1638-42 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.015 BindingDB Entry DOI: 10.7270/Q21J99B2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Kowa Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at LXRalpha (unknown origin) |
Bioorg Med Chem Lett 25: 2668-74 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.080 BindingDB Entry DOI: 10.7270/Q2PN97CM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Daiichi Sankyo RD Novare Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate... |
Bioorg Med Chem Lett 25: 3914-20 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.047 BindingDB Entry DOI: 10.7270/Q23T9K08 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human LXR-alpha transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 6: 902-7 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00170 BindingDB Entry DOI: 10.7270/Q2VM4F2C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description Agonist activity at human LXRalpha expressed in human SH-SY5Y cells cotransfected with Gal4-LBD after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 2009-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.039 BindingDB Entry DOI: 10.7270/Q20C4VNS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human LXRalpha transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
WuXi AppTec Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac... |
J Med Chem 59: 3489-98 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00176 BindingDB Entry DOI: 10.7270/Q2KP843T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a |
Kowa Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 24: 3436-46 (2016)
Article DOI: 10.1016/j.bmc.2016.05.048 BindingDB Entry DOI: 10.7270/Q2DJ5HJ4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Agonist activity at human LXRalpha ligand binding domain (205-448) expressed in human HuH7 cells cotransfected with Gal4-DBD by luciferase transactiv... |
Bioorg Med Chem 17: 3519-27 (2009)
Article DOI: 10.1016/j.bmc.2009.04.012 BindingDB Entry DOI: 10.7270/Q2T72HH5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method |
Bioorg Med Chem Lett 20: 689-93 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.062 BindingDB Entry DOI: 10.7270/Q2W66KV8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Transactivational agonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by... |
J Med Chem 55: 7360-77 (2012)
Article DOI: 10.1021/jm3002394 BindingDB Entry DOI: 10.7270/Q2NV9KCH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 373 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua... |
Bioorg Med Chem Lett 23: 6604-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description Agonist activity at human LXR-alpha assessed as increase in recruitment of Trap 220/Drip2 coactivator peptide by TR-FRET assay |
Bioorg Med Chem Lett 22: 4094-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.071 BindingDB Entry DOI: 10.7270/Q25D8SZD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at LXRalpha ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 ... |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at LXRalpha by TR-FRET assay |
J Med Chem 54: 788-808 (2012)
Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 940 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Partial agonist activity at recombinant human GAL4-DBD-fused LXRalpha-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo lucifera... |
Bioorg Med Chem Lett 27: 1193-1198 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.066 BindingDB Entry DOI: 10.7270/Q2668GNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 359 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at GAL4-tagged human LXRalpha assessed as receptor activation expressed in African green monkey CV1 cells by luciferase reporter gen... |
Bioorg Med Chem Lett 28: 85-93 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.006 BindingDB Entry DOI: 10.7270/Q2862K0Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human LXRalpha expressed in HEK293 cells co-expressing CMX-beta-galactosidase incubated for 16 hrs by luciferase reporter gene as... |
Bioorg Med Chem Lett 28: 796-801 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.024 BindingDB Entry DOI: 10.7270/Q2125W8V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
The Rockefeller University
US Patent
| Assay Description As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing ass... |
US Patent US10543183 (2020)
BindingDB Entry DOI: 10.7270/Q2JW8H8C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at Homo sapiens (human) LXRalpha expressed in HepG2 cells assessed as transactivation of CYP7A1 gene expression after 48 hr by lucif... |
Citation and Details
Article DOI: 10.1007/s00044-012-0359-5 BindingDB Entry DOI: 10.7270/Q2668H34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 530 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Transactivation of recombinant GAL4-fused human LXRalpha LBD (163 to 447 residues) expressed in human L02 cells measured after 24 hrs by luciferase r... |
J Nat Prod 82: 1558-1564 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00055 BindingDB Entry DOI: 10.7270/Q2Z89GVG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Rgenix, Inc.
US Patent
| Assay Description TBD |
US Patent US10669296 (2020)
BindingDB Entry DOI: 10.7270/Q2V127W1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity LXRalpha (unknown origin) |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity LXRalpha (unknown origin) |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
The Rockefeller University
US Patent
| Assay Description As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing ass... |
US Patent US10945978 (2021)
BindingDB Entry DOI: 10.7270/Q2959MPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a |
Kowa Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 1274-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.047 BindingDB Entry DOI: 10.7270/Q2CC12BH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Agonist activity at LXRalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 NR reporter cell-based assay |
J Med Chem 57: 5871-92 (2014)
Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029 BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay |
Bioorg Med Chem Lett 20: 521-5 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitment assay |
Bioorg Med Chem Lett 19: 2009-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.039 BindingDB Entry DOI: 10.7270/Q20C4VNS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human LXR-alpha expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Transactivation of LXRalpha by luciferase reporter gene assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Tanabe Research Laboratories USA
| Assay Description Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu... |
Bioorg Med Chem Lett 17: 4442-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.017 BindingDB Entry DOI: 10.7270/Q2N58JQ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | 7.5 | 22 |
GlaxoSmithKline
| Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding... |
J Med Chem 45: 1963-6 (2002)
Article DOI: 10.1021/jm0255116 BindingDB Entry DOI: 10.7270/Q2319T5G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 55 | n/a | n/a | 7.5 | 22 |
GlaxoSmithKline
| Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding... |
J Med Chem 48: 5419-22 (2005)
Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116792 BindingDB Entry DOI: 10.7270/Q2183BKK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |