Found 54 hits Enzyme Inhibition Constant Data 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 |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha |
J Med Chem 39: 3229-34 (1996)
Article DOI: 10.1021/jm960311d BindingDB Entry DOI: 10.7270/Q2ZW1K14 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-alpha |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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 | 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 [154-461]
(307/308 > 99%)† (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 MMDB
KEGG
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| n/a | n/a | 12 | n/a | 310 | n/a | n/a | 7.4 | 4 |
Wyeth Research
| Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test... |
J Med Chem 51: 7161-8 (2008)
Article DOI: 10.1021/jm800799q BindingDB Entry DOI: 10.7270/Q2XW4H4G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta [154-461]
(307/308 > 99%)† (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 MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 12 | n/a | 410 | n/a | n/a | 7.4 | 4 |
Wyeth Research
| Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test... |
J Med Chem 49: 6151-4 (2006)
Article DOI: 10.1021/jm0609566 BindingDB Entry DOI: 10.7270/Q20863KH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to human retinoid X receptor alpha ligand-binding domain expressed in E. coli |
J Med Chem 47: 4360-72 (2004)
Article DOI: 10.1021/jm030651g BindingDB Entry DOI: 10.7270/Q24749B0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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 | 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) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay |
J Med Chem 37: 408-14 (1994)
BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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 | 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) |
Retinoic acid receptor RXR-alpha
(362/365 > 99%)† (Mus musculus) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RXR alpha |
J Med Chem 39: 3625-35 (1996)
Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXR-alpha-ligand binding domain homodimers assessed as coactivator recruitment by measuring GRIP1 binding to receptor by is... |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching method |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(362/365 > 99%)† (RAT) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at Gal4-fused human RXR-alpha expressed in HEK293 cells assessed as receptor-mediated transcriptional activity treated 24 hrs after ... |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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
(389/390 > 99%)† (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 | 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
(389/390 > 99%)† (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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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) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha |
J Med Chem 44: 2298-303 (2001)
BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-alpha |
J Med Chem 44: 2298-303 (2001)
BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR alpha |
Bioorg Med Chem Lett 13: 261-4 (2002)
BindingDB Entry DOI: 10.7270/Q29P310V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Universidade de Vigo
Curated by ChEMBL
| Assay Description Dissociation constant for binding to Retinoic acid receptor RXR-alpha |
Bioorg Med Chem Lett 12: 2607-9 (2002)
BindingDB Entry DOI: 10.7270/Q2BG2NBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha expressed in HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 24: 5265-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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 | 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) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description Dissociation constant for Retinoid X receptor alpha |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Transcriptional activation for RXR alpha receptor |
Bioorg Med Chem Lett 4: 1447-1452 (1994)
Article DOI: 10.1016/S0960-894X(01)80511-4 BindingDB Entry DOI: 10.7270/Q2B8582K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR alpha in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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
(389/390 > 99%)† (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) |
Retinoic acid receptor RXR-alpha
(362/365 > 99%)† (Mus musculus) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Universidade de Vigo
Curated by ChEMBL
| Assay Description Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ... |
Eur J Med Chem 44: 2434-46 (2009)
Article DOI: 10.1016/j.ejmech.2009.01.011 BindingDB Entry DOI: 10.7270/Q26Q1X99 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Xiamen University
Curated by ChEMBL
| Assay Description Binding affinity to RXRalpha |
Nat Chem Biol 4: 548-56 (2008)
Article DOI: 10.1038/nchembio.106 BindingDB Entry DOI: 10.7270/Q2959JHW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(362/365 > 99%)† (RAT) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay |
Bioorg Med Chem 22: 178-85 (2013)
Article DOI: 10.1016/j.bmc.2013.11.039 BindingDB Entry DOI: 10.7270/Q2MW2JMM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of binding to human Retinoic acid receptor RXR DEF domain |
J Med Chem 39: 3625-35 (1996)
Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 195 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expresing human Retinoid X receptor RXR-alpha |
Bioorg Med Chem Lett 13: 261-4 (2002)
BindingDB Entry DOI: 10.7270/Q29P310V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor gamma using transactivation a... |
Bioorg Med Chem Lett 6: 213-218 (1996)
Article DOI: 10.1016/0960-894X(95)00588-K BindingDB Entry DOI: 10.7270/Q2BC3ZHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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) |
Retinoic acid receptor RXR-alpha
(362/365 > 99%)† (Mus musculus) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc
Curated by ChEMBL
| Assay Description Dissociation constant for binding to Retinoid X receptor alpha |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Allergan, Inc
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR alpha |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 316 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR alpha |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Effective concentration against RXR-alpha receptor |
J Med Chem 36: 2605-13 (1993)
BindingDB Entry DOI: 10.7270/Q21R6PKP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X alpha receptors cotransfected into CV-1 cells |
J Med Chem 37: 408-14 (1994)
BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Effective concentration against Retinoic acid receptor RXR-alpha |
J Med Chem 38: 3368-83 (1995)
BindingDB Entry DOI: 10.7270/Q24748WR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Allergan, Inc
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR alpha |
J Med Chem 38: 2820-9 (1995)
BindingDB Entry DOI: 10.7270/Q2FN157S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(365/365 = 100%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor |
Bioorg Med Chem Lett 6: 213-218 (1996)
Article DOI: 10.1016/0960-894X(95)00588-K BindingDB Entry DOI: 10.7270/Q2BC3ZHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(389/390 > 99%)† (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 | 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
(389/390 > 99%)† (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
(389/390 > 99%)† (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
(389/390 > 99%)† (Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB
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| n/a | n/a | n/a | n/a | 1.73E+3 | 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 LXRbeta-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferas... |
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-beta
(389/390 > 99%)† (Homo sapiens (Human)) | BDBM19992
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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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) |