Found 15 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
(238/240 > 99%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 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-beta
(206/235 = 88%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 9 | 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 beta |
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-gamma
(205/239 = 86%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 14 | 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 gamma |
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 alpha
(269/269 = 100%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 1.79E+3 | 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]-ATRA binding to Retinoic acid receptor RAR 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 beta
(233/267 = 87%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
Reactome pathway KEGG
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| 2.59E+3 | 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]-ATRA binfding to Retinoic acid receptor RAR beta |
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 beta
(233/267 = 87%)† (Mus musculus) | BDBM50031459
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of murine Retinoic acid receptor RAR beta |
J Med Chem 38: 2302-10 (1995)
BindingDB Entry DOI: 10.7270/Q2S181H8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor alpha
(267/269 > 99%)† (Mus musculus) | BDBM50031459
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)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
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of murine Retinoic acid receptor RAR alpha |
J Med Chem 38: 2302-10 (1995)
BindingDB Entry DOI: 10.7270/Q2S181H8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-beta
(204/235 = 87%)† (Mus musculus) | BDBM50031459
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)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
UniProtKB/SwissProt
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of binding to murine Retinoid X receptor RXR beta |
J Med Chem 38: 2302-10 (1995)
BindingDB Entry DOI: 10.7270/Q2S181H8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(240/240 = 100%)† (Mus musculus) | BDBM50031459
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)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
UniProtKB/SwissProt
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of binding to murine Retinoid X receptor RXR alpha |
J Med Chem 38: 2302-10 (1995)
BindingDB Entry DOI: 10.7270/Q2S181H8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(204/239 = 85%)† (Mus musculus) | BDBM50031459
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)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
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of binding to murine Retinoid X receptor RXR gamma |
J Med Chem 38: 2302-10 (1995)
BindingDB Entry DOI: 10.7270/Q2S181H8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(205/239 = 86%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR gamma |
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 alpha
(269/269 = 100%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoic acid receptor RAR 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 beta
(233/267 = 87%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoic acid receptor RAR beta |
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
(238/240 > 99%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional ativation of 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-beta
(206/235 = 88%)† (Homo sapiens (Human)) | BDBM50052589
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR beta |
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) |