Found 22 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM19992' 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-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
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f... |
Eur J Med Chem 178: 458-467 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of hyodeoxycholicacid-based fluorescent tracer from recombinant human LXRbeta LBD (215 to 461 residues) expressed in Escherichia coli BL... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112240 BindingDB Entry DOI: 10.7270/Q2MG7T4D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
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-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
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values... |
J Med Chem 50: 4255-9 (2007)
Article DOI: 10.1021/jm070453f BindingDB Entry DOI: 10.7270/Q2BK19N6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| 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)) | 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
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at LXRbeta ligand binding domain assessed as inhibition of T1317-induced transcriptional activity in african green monkey CV1 cel... |
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-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
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description Agonist activity at human LXRbeta expressed in human SH-SY5Y cells co-transfected 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-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
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| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human LXRbeta assessed as association of SRC1 to LXRbeta ligand binding domain by FRET based cell-free ligand sensing assay |
Bioorg Med Chem Lett 19: 5617-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.036 BindingDB Entry DOI: 10.7270/Q20865CN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at LXRbeta ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 b... |
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-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
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| n/a | n/a | n/a | n/a | 20 | 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-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
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| n/a | n/a | n/a | n/a | 25 | n/a | n/a | 7.5 | 22 |
GSK
| 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... |
Bioorg Med Chem Lett 19: 1097-100 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.004 BindingDB Entry DOI: 10.7270/Q28W3BMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
Kowa Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at LXRbeta (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-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
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| n/a | n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human LXRbeta by Gal4 assay |
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-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
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| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding to human LXRbeta |
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-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
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| n/a | n/a | n/a | n/a | 40 | 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-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
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| n/a | n/a | n/a | n/a | 289 | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat... |
Eur J Med Chem 178: 458-467 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 27 | n/a | n/a | 7.2 | 37 |
GNF
| Assay Description FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin... |
J Med Chem 50: 4255-9 (2007)
Article DOI: 10.1021/jm070453f BindingDB Entry DOI: 10.7270/Q2BK19N6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB US Patent
| n/a | n/a | n/a | n/a | 40 | 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-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
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PDB US Patent
| n/a | n/a | n/a | n/a | 40 | 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-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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 78 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description Agonist activity at LXRbeta ligand binding domain (unknown origin) 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-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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 35 | 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-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
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
Kowa Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at Gal4-tagged LXRbeta (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) |